(1R,3S)-3-[(1S)-1-acetamido-3-methyl-butyl]-N-[(2S,3S,5R)-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: (1R,3S)-3-[(1S)-1-acetamido-3-methyl-butyl]-N-[(2S,3S,5R)-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]cyclohexane-1-carboxamide Openeye Name: (1R,3S)-3-[(1S)-1-acetamido-3-methyl-butyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxo-pentyl]cyclohexanecarboxamide CAS Name: (1R,3S)-3-[(1S)-1-acetamido-3-methylbutyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: (1R,3S)-3-[(1S)-1-acetamido-3-methylbutyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexane-1-carboxamide Traditional Name: (1R,3S)-3-[(1S)-1-acetamido-3-methyl-butyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-5-keto-4-methyl-pentyl]cyclohexanecarboxamide Formula: C31H51N3O4 MolecularWeight: 529.75434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC1=CC=CC=C1)NC(=O)C2CCCC(C2)C(CC(C)C)NC(=O)C)O

Isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCC[C@@H](C2)[C@H](CC(C)C)NC(=O)C)O

InChI

InChI=1S/C31H51N3O4/c1-6-7-16-32-30(37)22(4)18-29(36)28(19-24-12-9-8-10-13-24)34-31(38)26-15-11-14-25(20-26)27(17-21(2)3)33-23(5)35/h8-10,12-13,21-22,25-29,36H,6-7,11,14-20H2,1-5H3,(H,32,37)(H,33,35)(H,34,38)/t22-,25+,26-,27+,28+,29+/m1/s1