3-[[4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)-3-(methoxycarbonylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)-3-(methoxycarbonylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazin-1-yl]-3-(methoxycarbonylamino)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-2,5-dimethyl-1-piperazinyl]-3-(methoxycarbonylamino)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-3-(methoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(carbomethoxyamino)-4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C26H32N4O6S MolecularWeight: 528.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2CC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)OC

Isomeric SMILES

CC1CN(C(CN1C(=O)C2CC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)OC

InChI

InChI=1S/C26H32N4O6S/c1-15-14-30(25(34)17-6-7-17)16(2)13-29(15)21-9-8-18(11-19(21)28-26(35)36-3)24(33)27-20(12-23(31)32)22-5-4-10-37-22/h4-5,8-11,15-17,20H,6-7,12-14H2,1-3H3,(H,27,33)(H,28,35)(H,31,32)