3-[[2-[3-(3,3-dimethylpiperidin-1-yl)carbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[3-(3,3-dimethylpiperidin-1-yl)carbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-[5-tert-butoxycarbonyl-3-(3,3-dimethylpiperidine-1-carbonyl)-2-phenyl-pyrrolidin-1-yl]-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[3-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(3,3-dimethylpiperidine-1-carbonyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-[5-tert-butoxycarbonyl-3-(3,3-dimethylpiperidine-1-carbonyl)-2-phenyl-pyrrolidino]-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C33H42N4O7 MolecularWeight: 606.70918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CCCN(C1)C(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C33H42N4O7/c1-32(2,3)44-30(42)25-18-24(28(39)36-16-10-15-33(4,5)20-36)27(21-11-7-6-8-12-21)37(25)26(38)19-34-31(43)35-23-14-9-13-22(17-23)29(40)41/h6-9,11-14,17,24-25,27H,10,15-16,18-20H2,1-5H3,(H,40,41)(H2,34,35,43)