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88208-08-6

88208-08-6 | L-Argininamide, N-(4-nitrobenzoyl)-L-valyl-L-prolyl-N-(4-nitrophenyl)-

CAS No: 88208-08-6 Catalog No: AG004C33 MDL No:

Product Description

Catalog Number:
AG004C33
Chemical Name:
L-Argininamide, N-(4-nitrobenzoyl)-L-valyl-L-prolyl-N-(4-nitrophenyl)-
CAS Number:
88208-08-6
Molecular Formula:
C29H37N9O8
Molecular Weight:
639.6596
IUPAC Name:
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[(2S)-3-methyl-2-[(4-nitrobenzoyl)amino]butanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C29H37N9O8/c1-17(2)24(35-25(39)18-7-11-20(12-8-18)37(43)44)28(42)36-16-4-6-23(36)27(41)34-22(5-3-15-32-29(30)31)26(40)33-19-9-13-21(14-10-19)38(45)46/h7-14,17,22-24H,3-6,15-16H2,1-2H3,(H,33,40)(H,34,41)(H,35,39)(H4,30,31,32)/t22-,23-,24-/m0/s1
InChI Key:
ANDFNTAKCUKTFD-HJOGWXRNSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
1130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
639.277g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
639.67g/mol
Monoisotopic Mass:
639.277g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
264A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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