2-azanyl-2-(2-cyclohexylethyl)-4-[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]ethanoylamino]-3-oxidanylidene-hexanedioic acid

Systemtic Name: 2-azanyl-2-(2-cyclohexylethyl)-4-[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]ethanoylamino]-3-oxidanylidene-hexanedioic acid Openeye Name: 2-amino-2-(2-cyclohexylethyl)-4-[[2-[ethyl-[4-(4-piperidyl)butanoyl]amino]acetyl]amino]-3-oxo-hexanedioic acid CAS Name: 2-amino-2-(2-cyclohexylethyl)-4-[[2-[ethyl-[1-oxo-4-(4-piperidinyl)butyl]amino]-1-oxoethyl]amino]-3-oxohexanedioic acid IUPAC Name: 2-amino-2-(2-cyclohexylethyl)-4-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]amino]-3-oxohexanedioic acid Traditional Name: 2-amino-2-(2-cyclohexylethyl)-4-[[2-[ethyl-[4-(4-piperidyl)butanoyl]amino]acetyl]amino]-3-keto-adipic acid Formula: C27H46N4O7 MolecularWeight: 538.67674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(CC(=O)O)C(=O)C(CCC1CCCCC1)(C(=O)O)N)C(=O)CCCC2CCNCC2

Isomeric SMILES

CCN(CC(=O)NC(CC(=O)O)C(=O)C(CCC1CCCCC1)(C(=O)O)N)C(=O)CCCC2CCNCC2

InChI

InChI=1S/C27H46N4O7/c1-2-31(23(33)10-6-9-20-12-15-29-16-13-20)18-22(32)30-21(17-24(34)35)25(36)27(28,26(37)38)14-11-19-7-4-3-5-8-19/h19-21,29H,2-18,28H2,1H3,(H,30,32)(H,34,35)(H,37,38)