C33H39N5O6 L-ORNITHINAMIDE, N-[((9h-fluoren-9 -ylmethoxy) carbonyl] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl]-(9Ci)

C33H39N5O6 L-ORNITHINAMIDE, N-[(9H-FLUOREN-9-ILMETHOXY) carbonyl] -L-valyl-N5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl]-(9Ci, aci)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	601.69	-
Berwbwynt (a ragwelir)	914.2 ± 65.0 ° C.	Gwasg: 760 Torr
Dwysedd (a ragwelir)	1.276 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	10.63 ± 0.46	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc31) nc (c (= o) nc (c (= o) nc4 = cc = c (c = c4) co) cccnc (= o) n) c (c) c (c) c
Gwên isomerig C (OC (N [C@H] (C (N [C@H] (C (NC1 = CC = C (CO) C = C1) = O) CCCNC (N) = O) = O) [C@H] (C) C) = O) C2C = 3C (C = CC = CC = CC) = CC) = CC
Inchi
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27)31(41)37-28(12-7-17-35- 32 (34) 42) 30 (40) 36-22-15-13-21 (18-39) 14-16-22/h3-6,8-11,13-16,20,27-29,39h, 7,12,17-19h2,1-2h3, (h, 36,40) (h, 381) (h, 381) (h, 38110) (h, 3810) (h, 381
5,42)/t28-, 29-/m0/s1
Allwedd inchi
Dalmazhdnfcdrp-vmpRefpwsa-n
1 enw arall ar y sylwedd hwn
N-[(9h-fluoren-9 -ylmethoxy) carbonyl] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl] -l-ornithinamide (ACI)

Sbectra arbrofol

Sbectra ar gael
1h nmr
13c nmr

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Thermol

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	809	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	912	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	923	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	924	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	924	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	924	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	924	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	922	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	903	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	750	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	4040	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	4550	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	4610	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	4620	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	4620	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	4620	Ph 6; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	4620	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	4610	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	4510	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	3740	Ph 10; TEMP: 25 ° C.	(1) ACD
log	4.15	Ph 1; TEMP: 25 ° C.	(1) ACD
log	4.20	Ph 2; TEMP: 25 ° C.	(1) ACD
log	4.20	Ph 3; TEMP: 25 ° C.	(1) ACD
log	4.20	Ph 4; TEMP: 25 ° C.	(1) ACD
log	4.21	Ph 5; TEMP: 25 ° C.	(1) ACD
log	4.21	Ph 6; TEMP: 25 ° C.	(1) ACD
log	4.20	Ph 7; TEMP: 25 ° C.	(1) ACD
log	4.20	Ph 8; TEMP: 25 ° C.	(1) ACD
log	4.19	Ph 9; TEMP: 25 ° C.	(1) ACD
log	4.11	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	4.206 ± 0.767	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	1.7 x 10-4 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.0 x 10-4 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.1 x 10-4 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.7 x 10-4 g/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	2.9 x 10-7 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.3 x 10-7 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.5 x 10-7 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-7 mol/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	601.69
PKA	10.63 ± 0.46	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	0.13 ± 0.50	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD
Pwysau anwedd	0 Torr	TEMP: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.276 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	471.2 ± 3.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	15		(1) ACD
H Derbynyddion	11		(1) ACD
H rhoddwyr	7		(1) ACD
H rhoddwr/derbynnydd swm	18		(1) ACD
logio	4.206 ± 0.767	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	601.69

Strwythur yn gysylltiedig

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Arwynebedd pegynol	172 A2	(1) ACD

Thermol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Berwbwyntiau	914.2 ± 65.0 ° C.	Gwasg: 760 Torr	(1) ACD
Enthalpi anweddiad	139.25 ± 3.0 kJ/mol	Gwasg: 760 Torr	(1) ACD
Phwynt fflach	506.7 ± 34.3 ° C.		(1) ACD