(2S)-2-azanyl-N-[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-3-pyrazol-1-yl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-3-pyrazol-1-yl-propanamide Openeye Name: (2S)-2-amino-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-3-pyrazol-1-yl-propanamide CAS Name: (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-(1-pyrazolyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-pyrazol-1-ylpropanamide Traditional Name: (2S)-2-amino-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-3-pyrazol-1-yl-propionamide Formula: C20H36N4O3 MolecularWeight: 380.52484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CN2C=CC=N2)N)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CN2C=CC=N2)N)O)O

InChI

InChI=1S/C20H36N4O3/c1-14(2)11-18(25)19(26)17(12-15-7-4-3-5-8-15)23-20(27)16(21)13-24-10-6-9-22-24/h6,9-10,14-19,25-26H,3-5,7-8,11-13,21H2,1-2H3,(H,23,27)/t16-,17-,18-,19+/m0/s1