3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[(1-oxo-2-phenoxyethyl)amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H33N5O6 MolecularWeight: 571.62362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C31H33N5O6/c37-28(20-42-24-6-2-1-3-7-24)33-26-17-22(30(40)34-25(18-29(38)39)23-5-4-12-32-19-23)10-11-27(26)35-13-15-36(16-14-35)31(41)21-8-9-21/h1-7,10-12,17,19,21,25H,8-9,13-16,18,20H2,(H,33,37)(H,34,40)(H,38,39)