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77672-24-3 | L-Argininamide, N-benzoyl-L-valyl-L-prolyl-N-(4-nitrophenyl)-
CAS No: 77672-24-3 Catalog No: AG005SIA MDL No:
Product Description
Catalog Number:
AG005SIA
Chemical Name:
L-Argininamide, N-benzoyl-L-valyl-L-prolyl-N-(4-nitrophenyl)-
CAS Number:
77672-24-3
Molecular Formula:
C29H38N8O6
Molecular Weight:
594.6620
IUPAC Name:
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C29H38N8O6/c1-18(2)24(35-25(38)19-8-4-3-5-9-19)28(41)36-17-7-11-23(36)27(40)34-22(10-6-16-32-29(30)31)26(39)33-20-12-14-21(15-13-20)37(42)43/h3-5,8-9,12-15,18,22-24H,6-7,10-11,16-17H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H4,30,31,32)/t22-,23-,24-/m0/s1
InChI Key:
HZUOUPNDWDLGFW-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)c1ccccc1
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
594.291g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
594.673g/mol
Monoisotopic Mass:
594.291g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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