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88208-07-5 | L-Argininamide, 1-(4-nitrobenzoyl)-L-prolyl-N-(4-nitrophenyl)-
CAS No: 88208-07-5 Catalog No: AG004C34 MDL No:
Product Description
Catalog Number:
AG004C34
Chemical Name:
L-Argininamide, 1-(4-nitrobenzoyl)-L-prolyl-N-(4-nitrophenyl)-
CAS Number:
88208-07-5
Molecular Formula:
C24H28N8O7
Molecular Weight:
540.5285
IUPAC Name:
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C24H28N8O7/c25-24(26)27-13-1-3-19(21(33)28-16-7-11-18(12-8-16)32(38)39)29-22(34)20-4-2-14-30(20)23(35)15-5-9-17(10-6-15)31(36)37/h5-12,19-20H,1-4,13-14H2,(H,28,33)(H,29,34)(H4,25,26,27)/t19-,20-/m0/s1
InChI Key:
APVNHBFLGRZHDZ-PMACEKPBSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
930
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
540.208g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
540.537g/mol
Monoisotopic Mass:
540.208g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
235A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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