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

Systemtic Name: (phenylmethyl) 4-[[5-azanyl-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoyl]amino]butanoate Openeye Name: benzyl 4-[(5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl)amino]butanoate CAS Name: 4-[[5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)-1-oxohexyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]amino]butanoate Traditional Name: 4-[(5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl)amino]butyric acid benzyl ester Formula: C27H44N2O4 MolecularWeight: 460.64926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O4/c1-20(2)16-23(18-25(30)24(28)17-21-10-5-3-6-11-21)27(32)29-15-9-14-26(31)33-19-22-12-7-4-8-13-22/h4,7-8,12-13,20-21,23-25,30H,3,5-6,9-11,14-19,28H2,1-2H3,(H,29,32)