3-(4-fluorophenyl)-3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-[(2-phenoxyacetyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-[(1-oxo-2-phenoxyethyl)amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-[(2-phenoxyacetyl)amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(4-carbomethoxy-1,4-diazepan-1-yl)-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C31H33FN4O7 MolecularWeight: 592.614723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C31H33FN4O7/c1-42-31(41)36-15-5-14-35(16-17-36)27-13-10-22(18-26(27)33-28(37)20-43-24-6-3-2-4-7-24)30(40)34-25(19-29(38)39)21-8-11-23(32)12-9-21/h2-4,6-13,18,25H,5,14-17,19-20H2,1H3,(H,33,37)(H,34,40)(H,38,39)