3-[[3-(phenylmethoxycarbonylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(phenylmethoxycarbonylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(benzyloxycarbonylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-3-(phenylmethoxycarbonylamino)phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(phenylmethoxycarbonylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(benzyloxycarbonylamino)-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C33H32N6O6 MolecularWeight: 608.64378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H32N6O6/c40-30(41)19-27(25-8-4-12-34-20-25)36-31(42)24-10-11-29(28(18-24)37-33(44)45-22-23-6-2-1-3-7-23)38-14-16-39(17-15-38)32(43)26-9-5-13-35-21-26/h1-13,18,20-21,27H,14-17,19,22H2,(H,36,42)(H,37,44)(H,40,41)