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

Systemtic Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-carbomethoxy-1,4-diazepan-1-yl)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C28H30N4O6S MolecularWeight: 550.626

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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=CS3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O6S/c1-38-28(37)32-13-6-12-31(14-15-32)23-11-10-20(17-21(23)29-26(35)19-7-3-2-4-8-19)27(36)30-22(18-25(33)34)24-9-5-16-39-24/h2-5,7-11,16-17,22H,6,12-15,18H2,1H3,(H,29,35)(H,30,36)(H,33,34)