[[2-[1-[2-[(6-azanyl-2-benzamido-hexanoyl)amino]propanoyl]pyrrolidin-2-yl]-2-oxidanylidene-ethyl]-propan-2-yl-carbamoyl] 2-methoxy-4-oxidanylidene-butanoate

Systemtic Name: [[2-[1-[2-[(6-azanyl-2-benzamido-hexanoyl)amino]propanoyl]pyrrolidin-2-yl]-2-oxidanylidene-ethyl]-propan-2-yl-carbamoyl] 2-methoxy-4-oxidanylidene-butanoate Openeye Name: [[2-[1-[2-[(6-amino-2-benzamido-hexanoyl)amino]propanoyl]pyrrolidin-2-yl]-2-oxo-ethyl]-isopropyl-carbamoyl] 2-methoxy-4-oxo-butanoate CAS Name: 2-methoxy-4-oxobutanoic acid [[[2-[1-[2-[(6-amino-2-benzamido-1-oxohexyl)amino]-1-oxopropyl]-2-pyrrolidinyl]-2-oxoethyl]-propan-2-ylamino]-oxomethyl] ester IUPAC Name: [[2-[1-[2-[(6-amino-2-benzamidohexanoyl)amino]propanoyl]pyrrolidin-2-yl]-2-oxoethyl]-propan-2-ylcarbamoyl] 2-methoxy-4-oxobutanoate Traditional Name: 4-keto-2-methoxy-butyric acid [[2-[1-[2-[(6-amino-2-benzamido-hexanoyl)amino]propanoyl]pyrrolidin-2-yl]-2-keto-ethyl]-isopropyl-carbamoyl] ester Formula: C31H45N5O9 MolecularWeight: 631.7171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCCCN)NC(=O)C2=CC=CC=C2)C(=O)OC(=O)C(CC=O)OC

Isomeric SMILES

CC(C)N(CC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCCCN)NC(=O)C2=CC=CC=C2)C(=O)OC(=O)C(CC=O)OC

InChI

InChI=1S/C31H45N5O9/c1-20(2)36(31(43)45-30(42)26(44-4)15-18-37)19-25(38)24-14-10-17-35(24)29(41)21(3)33-28(40)23(13-8-9-16-32)34-27(39)22-11-6-5-7-12-22/h5-7,11-12,18,20-21,23-24,26H,8-10,13-17,19,32H2,1-4H3,(H,33,40)(H,34,39)