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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-(m-toluoylamino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C30H32N4O5S/c1-19-4-2-5-21(16-19)28(37)31-23-17-22(29(38)32-24(18-27(35)36)26-6-3-15-40-26)9-10-25(23)33-11-13-34(14-12-33)30(39)20-7-8-20/h2-6,9-10,15-17,20,24H,7-8,11-14,18H2,1H3,(H,31,37)(H,32,38)(H,35,36)