2-[3-methoxycarbonyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-methoxycarbonyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-methoxycarbonyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-[4-(4-pyridyl)piperazin-1-yl]butanoyl]-3-methyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-methoxycarbonyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-1,4-dioxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]-3-methyl-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-methoxycarbonyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[3-carbomethoxy-2-keto-4-[4-keto-2-[(4-methoxyphenyl)sulfonylamino]-4-[4-(4-pyridyl)piperazino]butanoyl]-3-methyl-piperazino]acetic acid Formula: C29H36N6O10S MolecularWeight: 660.69534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CCN1C(=O)C(CC(=O)N2CCN(CC2)C3=CC=NC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC)CC(=O)O)C(=O)OC

Isomeric SMILES

CC1(C(=O)N(CCN1C(=O)C(CC(=O)N2CCN(CC2)C3=CC=NC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC)CC(=O)O)C(=O)OC

InChI

InChI=1S/C29H36N6O10S/c1-29(28(41)45-3)27(40)34(19-25(37)38)16-17-35(29)26(39)23(31-46(42,43)22-6-4-21(44-2)5-7-22)18-24(36)33-14-12-32(13-15-33)20-8-10-30-11-9-20/h4-11,23,31H,12-19H2,1-3H3,(H,37,38)