2-azanyl-2-hexadecanoyl-4-oxidanylidene-3-sulfanyl-nonadecanoic acid

Systemtic Name: 2-azanyl-2-hexadecanoyl-4-oxidanylidene-3-sulfanyl-nonadecanoic acid Openeye Name: 2-amino-2-hexadecanoyl-4-oxo-3-sulfanyl-nonadecanoic acid CAS Name: 2-amino-3-mercapto-4-oxo-2-(1-oxohexadecyl)nonadecanoic acid IUPAC Name: 2-amino-2-hexadecanoyl-4-oxo-3-sulfanylnonadecanoic acid Traditional Name: 2-amino-2-hexadecanoyl-4-keto-3-mercapto-nonadecanoic acid Formula: C35H67NO4S MolecularWeight: 597.97578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)N)S

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)N)S

InChI

InChI=1S/C35H67NO4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(37)33(41)35(36,34(39)40)32(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,41H,3-30,36H2,1-2H3,(H,39,40)