3-[[(4-methoxyphenyl)carbonylamino]-[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[[(4-methoxyphenyl)carbonylamino]-[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[[1-[3-(1-benzyloxycarbonyl-4-piperidyl)propanoyl]piperidine-3-carbonyl]-[(4-methoxybenzoyl)amino]amino]propanoic acid CAS Name: 3-[[[(4-methoxyphenyl)-oxomethyl]amino]-[oxo-[1-[1-oxo-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[(4-methoxybenzoyl)amino]-[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[3-(1-carbobenzoxy-4-piperidyl)propanoyl]nipecotoyl]-(p-anisoylamino)amino]propionic acid Formula: C33H42N4O8 MolecularWeight: 622.70858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NN(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H42N4O8/c1-44-28-12-10-26(11-13-28)31(41)34-37(21-17-30(39)40)32(42)27-8-5-18-36(22-27)29(38)14-9-24-15-19-35(20-16-24)33(43)45-23-25-6-3-2-4-7-25/h2-4,6-7,10-13,24,27H,5,8-9,14-23H2,1H3,(H,34,41)(H,39,40)