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

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

Click to see the large picture

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)OCC4=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)OCC4=CC=CC=C4

InChI

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