(4-nitrophenyl) 1-[2-[[6-azanyl-2-(2-azanylethanoylamino)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]-methyl-amino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (4-nitrophenyl) 1-[2-[[6-azanyl-2-(2-azanylethanoylamino)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]-methyl-amino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (4-nitrophenyl) 1-[2-[[6-amino-2-[(2-aminoacetyl)amino]-7-benzyloxy-7-oxo-heptanoyl]-methyl-amino]acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[6-amino-2-[(2-amino-1-oxoethyl)amino]-1,7-dioxo-7-phenylmethoxyheptyl]-methylamino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1-[2-[[6-amino-2-[(2-aminoacetyl)amino]-7-oxo-7-phenylmethoxyheptanoyl]-methylamino]acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[6-amino-7-benzoxy-2-(glycylamino)-7-keto-heptanoyl]-methyl-amino]acetyl]pyrrolidine-2-carboxylic acid (4-nitrophenyl) ester Formula: C30H38N6O9 MolecularWeight: 626.65752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CCCC(C(=O)OCC3=CC=CC=C3)N)NC(=O)CN

Isomeric SMILES

CN(CC(=O)N1CCCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CCCC(C(=O)OCC3=CC=CC=C3)N)NC(=O)CN

InChI

InChI=1S/C30H38N6O9/c1-34(18-27(38)35-16-6-11-25(35)30(41)45-22-14-12-21(13-15-22)36(42)43)28(39)24(33-26(37)17-31)10-5-9-23(32)29(40)44-19-20-7-3-2-4-8-20/h2-4,7-8,12-15,23-25H,5-6,9-11,16-19,31-32H2,1H3,(H,33,37)