(4S)-4-azanyl-N-[(2S,3S,5S)-1-cyclohexyl-3-oxidanyl-5-propan-2-yl-hept-6-en-2-yl]-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-5-phenyl-pentanamide

Systemtic Name: (4S)-4-azanyl-N-[(2S,3S,5S)-1-cyclohexyl-3-oxidanyl-5-propan-2-yl-hept-6-en-2-yl]-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-5-phenyl-pentanamide Openeye Name: (4S)-4-amino-N-[(1S,2S,4S)-1-(cyclohexylmethyl)-2-hydroxy-4-isopropyl-hex-5-enyl]-2-(1H-imidazol-5-ylmethyl)-3-oxo-5-phenyl-pentanamide CAS Name: (4S)-4-amino-N-[(2S,3S,5S)-1-cyclohexyl-3-hydroxy-5-propan-2-ylhept-6-en-2-yl]-2-(1H-imidazol-5-ylmethyl)-3-oxo-5-phenylpentanamide IUPAC Name: (4S)-4-amino-N-[(2S,3S,5S)-1-cyclohexyl-3-hydroxy-5-propan-2-ylhept-6-en-2-yl]-2-(1H-imidazol-5-ylmethyl)-3-oxo-5-phenylpentanamide Traditional Name: (4S)-4-amino-N-[(1S,2S,4S)-1-(cyclohexylmethyl)-2-hydroxy-4-isopropyl-hex-5-enyl]-2-(1H-imidazol-5-ylmethyl)-3-keto-5-phenyl-valeramide Formula: C31H46N4O3 MolecularWeight: 522.72194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)C(=O)C(CC3=CC=CC=C3)N)O)C=C

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C(CC2=CN=CN2)C(=O)[C@H](CC3=CC=CC=C3)N)O)C=C

InChI

InChI=1S/C31H46N4O3/c1-4-24(21(2)3)17-29(36)28(16-23-13-9-6-10-14-23)35-31(38)26(18-25-19-33-20-34-25)30(37)27(32)15-22-11-7-5-8-12-22/h4-5,7-8,11-12,19-21,23-24,26-29,36H,1,6,9-10,13-18,32H2,2-3H3,(H,33,34)(H,35,38)/t24-,26?,27-,28-,29-/m0/s1