3-[[3-azanyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[3-azanyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-amino-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-amino-4-[4-(2-thenoyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C26H28N4O4S MolecularWeight: 492.58992

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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)N3CCN(CC3)C(=O)C4=CC=CS4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)N

InChI

InChI=1S/C26H28N4O4S/c1-17-4-6-18(7-5-17)21(16-24(31)32)28-25(33)19-8-9-22(20(27)15-19)29-10-12-30(13-11-29)26(34)23-3-2-14-35-23/h2-9,14-15,21H,10-13,16,27H2,1H3,(H,28,33)(H,31,32)