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

Systemtic Name: 3-azanyl-4-[2-cyclohexylethyl-[2-[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]ethanoyloxy]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-cyclohexylethyl-[2-[2-[ethyl-[4-(4-piperidyl)butanoyl]amino]acetyl]oxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-cyclohexylethyl-[2-[2-[ethyl-[1-oxo-4-(4-piperidinyl)butyl]amino]-1-oxoethoxy]-2-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-cyclohexylethyl-[2-[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]oxy-2-oxoethyl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-cyclohexylethyl-[2-[2-[ethyl-[4-(4-piperidyl)butanoyl]amino]acetyl]oxy-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C27H46N4O7 MolecularWeight: 538.67674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)OC(=O)CN(CCC1CCCCC1)C(=O)C(CC(=O)O)N)C(=O)CCCC2CCNCC2

Isomeric SMILES

CCN(CC(=O)OC(=O)CN(CCC1CCCCC1)C(=O)C(CC(=O)O)N)C(=O)CCCC2CCNCC2

InChI

InChI=1S/C27H46N4O7/c1-2-30(23(32)10-6-9-21-11-14-29-15-12-21)18-25(35)38-26(36)19-31(27(37)22(28)17-24(33)34)16-13-20-7-4-3-5-8-20/h20-22,29H,2-19,28H2,1H3,(H,33,34)