(4-nitrophenyl)methyl (2S,4S)-2-[(3S)-3-[3-[(4-nitrophenyl)methoxycarbonylamino]propanoylamino]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(3S)-3-[3-[(4-nitrophenyl)methoxycarbonylamino]propanoylamino]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[(3S)-3-[3-[(4-nitrophenyl)methoxycarbonylamino]propanoylamino]pyrrolidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[(3S)-3-[[3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxopropyl]amino]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[(3S)-3-[3-[(4-nitrophenyl)methoxycarbonylamino]propanoylamino]pyrrolidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(3S)-3-[3-[(4-nitrobenzyl)oxycarbonylamino]propanoylamino]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H32N6O10S MolecularWeight: 644.65288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1CN(C[C@H]1NC(=O)CCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@@H]3C[C@@H](CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C28H32N6O10S/c35-25(9-11-29-27(37)43-16-18-1-5-21(6-2-18)33(39)40)30-20-10-12-31(14-20)26(36)24-13-23(45)15-32(24)28(38)44-17-19-3-7-22(8-4-19)34(41)42/h1-8,20,23-24,45H,9-17H2,(H,29,37)(H,30,35)/t20-,23-,24-/m0/s1