(2S,5S,6S)-5-azanyl-6-methyl-4-oxidanylidene-2-(phenylmethyl)octanoic acid

Systemtic Name: (2S,5S,6S)-5-azanyl-6-methyl-4-oxidanylidene-2-(phenylmethyl)octanoic acid Openeye Name: (2S,5S,6S)-5-amino-2-benzyl-6-methyl-4-oxo-octanoic acid CAS Name: (2S,5S,6S)-5-amino-6-methyl-4-oxo-2-(phenylmethyl)octanoic acid IUPAC Name: (2S,5S,6S)-5-amino-2-benzyl-6-methyl-4-oxooctanoic acid Traditional Name: (2S,5S,6S)-5-amino-2-benzyl-4-keto-6-methyl-caprylic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)CC(CC1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)C[C@H](CC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C16H23NO3/c1-3-11(2)15(17)14(18)10-13(16(19)20)9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,17H2,1-2H3,(H,19,20)/t11-,13-,15-/m0/s1