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

Systemtic Name: 3-[[3-azanyl-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-amino-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-amino-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-amino-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-amino-4-(4-carbomethoxy-1,4-diazepan-1-yl)benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)OC)N

InChI

InChI=1S/C24H30N4O5/c1-16-4-6-17(7-5-16)20(15-22(29)30)26-23(31)18-8-9-21(19(25)14-18)27-10-3-11-28(13-12-27)24(32)33-2/h4-9,14,20H,3,10-13,15,25H2,1-2H3,(H,26,31)(H,29,30)