(3S)-3-azanyl-4-[[(E)-5-cyclopropyl-6,6-dimethyl-1-oxidanyl-hept-3-en-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(E)-5-cyclopropyl-6,6-dimethyl-1-oxidanyl-hept-3-en-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(E)-4-cyclopropyl-1-(hydroxymethyl)-5,5-dimethyl-hex-2-enyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(E)-5-cyclopropyl-1-hydroxy-6,6-dimethylhept-3-en-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(E)-5-cyclopropyl-1-hydroxy-6,6-dimethylhept-3-en-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(E)-4-cyclopropyl-5,5-dimethyl-1-methylol-hex-2-enyl]amino]-4-keto-butyric acid Formula: C16H28N2O4 MolecularWeight: 312.40452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C=CC(CO)NC(=O)C(CC(=O)O)N)C1CC1

Isomeric SMILES

CC(C)(C)C(/C=C/C(CO)NC(=O)[C@H](CC(=O)O)N)C1CC1

InChI

InChI=1S/C16H28N2O4/c1-16(2,3)12(10-4-5-10)7-6-11(9-19)18-15(22)13(17)8-14(20)21/h6-7,10-13,19H,4-5,8-9,17H2,1-3H3,(H,18,22)(H,20,21)/b7-6+/t11?,12?,13-/m0/s1