N-[(4S)-1-[ethanoyl-(phenylmethyl)amino]-6-methyl-3-oxidanyl-heptan-4-yl]cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[(4S)-1-[ethanoyl-(phenylmethyl)amino]-6-methyl-3-oxidanyl-heptan-4-yl]cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[(1S)-4-[acetyl(benzyl)amino]-2-hydroxy-1-isobutyl-butyl]cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[(4S)-1-[acetyl-(phenylmethyl)amino]-3-hydroxy-6-methylheptan-4-yl]-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[(4S)-1-[acetyl(benzyl)amino]-3-hydroxy-6-methylheptan-4-yl]cyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[(1S)-4-[acetyl(benzyl)amino]-2-hydroxy-1-isobutyl-butyl]cyclohexa-1,3-diene-1-carboxamide Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCN(CC1=CC=CC=C1)C(=O)C)O)NC(=O)C2=CC=CCC2

Isomeric SMILES

CC(C)C[C@@H](C(CCN(CC1=CC=CC=C1)C(=O)C)O)NC(=O)C2=CC=CCC2

InChI

InChI=1S/C24H34N2O3/c1-18(2)16-22(25-24(29)21-12-8-5-9-13-21)23(28)14-15-26(19(3)27)17-20-10-6-4-7-11-20/h4-8,10-12,18,22-23,28H,9,13-17H2,1-3H3,(H,25,29)/t22-,23?/m0/s1