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

Systemtic Name: 3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-[(1-oxo-2-phenoxyethyl)amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonyl-1,4-diazepan-1-yl)-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxy-1,4-diazepan-1-yl)-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C30H33N5O7 MolecularWeight: 575.61232

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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=CN=CC=C3)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=CN=CC=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C30H33N5O7/c1-41-30(40)35-14-6-13-34(15-16-35)26-11-10-21(17-25(26)32-27(36)20-42-23-8-3-2-4-9-23)29(39)33-24(18-28(37)38)22-7-5-12-31-19-22/h2-5,7-12,17,19,24H,6,13-16,18,20H2,1H3,(H,32,36)(H,33,39)(H,37,38)