3-[[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[(4-fluorophenyl)carbonylamino]phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[(4-fluorophenyl)carbonylamino]phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C32H32F2N4O5 MolecularWeight: 590.617086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H32F2N4O5/c33-24-9-4-20(5-10-24)26(19-29(39)40)35-31(42)23-8-13-28(27(18-23)36-30(41)21-6-11-25(34)12-7-21)37-14-1-15-38(17-16-37)32(43)22-2-3-22/h4-13,18,22,26H,1-3,14-17,19H2,(H,35,42)(H,36,41)(H,39,40)