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

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(benzyloxycarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(phenylmethoxycarbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(benzyloxycarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H36N6O7 MolecularWeight: 616.66424

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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)N5CCOCC5

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)N5CCOCC5

InChI

InChI=1S/C32H36N6O7/c39-29(40)20-26(25-7-4-10-33-21-25)34-30(41)24-8-9-28(27(19-24)35-31(42)45-22-23-5-2-1-3-6-23)36-11-13-37(14-12-36)32(43)38-15-17-44-18-16-38/h1-10,19,21,26H,11-18,20,22H2,(H,34,41)(H,35,42)(H,39,40)