3-[4-[(3-acetamidophenyl)-propanoyl-amino]-4-methoxycarbonyl-piperidin-1-yl]-2-phenyl-propanoic acid

Systemtic Name: 3-[4-[(3-acetamidophenyl)-propanoyl-amino]-4-methoxycarbonyl-piperidin-1-yl]-2-phenyl-propanoic acid Openeye Name: 3-[4-(3-acetamido-N-propanoyl-anilino)-4-methoxycarbonyl-1-piperidyl]-2-phenyl-propanoic acid CAS Name: 3-[4-[3-acetamido-N-(1-oxopropyl)anilino]-4-methoxycarbonyl-1-piperidinyl]-2-phenylpropanoic acid IUPAC Name: 3-[4-(3-acetamido-N-propanoylanilino)-4-methoxycarbonylpiperidin-1-yl]-2-phenylpropanoic acid Traditional Name: 3-[4-(3-acetamido-N-propionyl-anilino)-4-carbomethoxy-piperidino]-2-phenyl-propionic acid Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC(=C1)NC(=O)C)C2(CCN(CC2)CC(C3=CC=CC=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC(=C1)NC(=O)C)C2(CCN(CC2)CC(C3=CC=CC=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C27H33N3O6/c1-4-24(32)30(22-12-8-11-21(17-22)28-19(2)31)27(26(35)36-3)13-15-29(16-14-27)18-23(25(33)34)20-9-6-5-7-10-20/h5-12,17,23H,4,13-16,18H2,1-3H3,(H,28,31)(H,33,34)