(phenylmethyl) 3-[[5-azanyl-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[5-azanyl-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoyl]amino]propanoate Openeye Name: benzyl 3-[(5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl)amino]propanoate CAS Name: 3-[[5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)-1-oxohexyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]amino]propanoate Traditional Name: 3-[(5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl)amino]propionic acid benzyl ester Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)N)O)C(=O)NCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CC(C(CC1CCCCC1)N)O)C(=O)NCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H42N2O4/c1-19(2)15-22(17-24(29)23(27)16-20-9-5-3-6-10-20)26(31)28-14-13-25(30)32-18-21-11-7-4-8-12-21/h4,7-8,11-12,19-20,22-24,29H,3,5-6,9-10,13-18,27H2,1-2H3,(H,28,31)