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

Systemtic Name: 2-[3-methoxycarbonyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(tert-butoxycarbonylamino)-4-oxo-4-[4-(4-pyridyl)piperazin-1-yl]butanoyl]-3-methoxycarbonyl-3-methyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-methoxycarbonyl-3-methyl-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-methoxycarbonyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(4-pyridin-4-ylpiperazin-1-yl)butanoyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(tert-butoxycarbonylamino)-4-keto-4-[4-(4-pyridyl)piperazino]butanoyl]-3-carbomethoxy-2-keto-3-methyl-piperazino]acetic acid Formula: C27H38N6O9 MolecularWeight: 590.62542

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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)NC(=O)OC(C)(C)C)CC(=O)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N6O9/c1-26(2,3)42-25(40)29-19(16-20(34)31-12-10-30(11-13-31)18-6-8-28-9-7-18)22(37)33-15-14-32(17-21(35)36)23(38)27(33,4)24(39)41-5/h6-9,19H,10-17H2,1-5H3,(H,29,40)(H,35,36)