3-azanyl-4-[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]ethanoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]ethanoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-[2-[ethyl-[4-(4-piperidyl)butanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[2-[ethyl-[1-oxo-4-(4-piperidinyl)butyl]amino]-1-oxoethyl]-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)-[2-[ethyl-[4-(4-piperidyl)butanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C26H38N4O7 MolecularWeight: 518.60252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(=O)O)N)C(=O)CCCC2CCNCC2

Isomeric SMILES

CCN(CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(=O)O)N)C(=O)CCCC2CCNCC2

InChI

InChI=1S/C26H38N4O7/c1-2-29(22(31)10-6-9-18-11-13-28-14-12-18)17-23(32)30(25(35)20(27)16-24(33)34)21(26(36)37)15-19-7-4-3-5-8-19/h3-5,7-8,18,20-21,28H,2,6,9-17,27H2,1H3,(H,33,34)(H,36,37)