(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl](4-nitrophenyl)carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-[(2S)-2-acetamido-3-methylbutanamido]propanoic acid

CAS: 189684-53-5

Formula: C29H41N7O12

SMILES: CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N([C@@H](CC(O)=O)C(N)=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl](4-nitrophenyl)carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-[(2S)-2-acetamido-3-methylbutanamido]propanoic acid

InChI: InChI=1S/C29H41N7O12/c1-13(2)23(32-16(6)37)28(45)33-19(11-21(38)39)26(43)34-24(14(3)4)27(44)31-15(5)29(46)35(20(25(30)42)12-22(40)41)17-7-9-18(10-8-17)36(47)48/h7-10,13-15,19-20,23-24H,11-12H2,1-6H3,(H2,30,42)(H,31,44)(H,32,37)(H,33,45)(H,34,43)(H,38,39)(

Composition: C (51.25%), H (6.08%), N (14.43%), O (28.25%)

Molar Mass: 679.684

Atom Count: 89

Heavy Atom Count: 48