(2S)-2-azanyl-4-methyl-pentanoic acid; (Z)-octadec-9-enoic acid

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; (Z)-octadec-9-enoic acid Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; (Z)-octadec-9-enoic acid CAS Name: (2S)-2-amino-4-methylpentanoic acid; (Z)-9-octadecenoic acid IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; (Z)-octadec-9-enoic acid Traditional Name: (2S)-2-amino-4-methyl-valeric acid; oleic acid Formula: C24H47NO4 MolecularWeight: 413.63428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CC(C)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O.CC(C)C[C@@H](C(=O)O)N

InChI

InChI=1S/C18H34O2.C6H13NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2)3-5(7)6(8)9/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-5H,3,7H2,1-2H3,(H,8,9)/b10-9-;/t;5-/m.0/s1