2-[2,3-bis(oxidanyl)propylamino]-2,3-di(hexadecanoyl)-4-oxidanylidene-3-sulfanyl-nonadecanoic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)propylamino]-2,3-di(hexadecanoyl)-4-oxidanylidene-3-sulfanyl-nonadecanoic acid Openeye Name: 2-(2,3-dihydroxypropylamino)-2,3-di(hexadecanoyl)-4-oxo-3-sulfanyl-nonadecanoic acid CAS Name: 2-(2,3-dihydroxypropylamino)-3-mercapto-4-oxo-2,3-bis(1-oxohexadecyl)nonadecanoic acid IUPAC Name: 2-(2,3-dihydroxypropylamino)-2,3-di(hexadecanoyl)-4-oxo-3-sulfanylnonadecanoic acid Traditional Name: 2-(glycerylamino)-2,3-di(hexadecanoyl)-4-keto-3-mercapto-nonadecanoic acid Formula: C54H103NO7S MolecularWeight: 910.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCC)(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)NCC(CO)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCC)(C(C(=O)CCCCCCCCCCCCCCC)(C(=O)O)NCC(CO)O)S

InChI

InChI=1S/C54H103NO7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(58)53(52(61)62,55-46-48(57)47-56)54(63,50(59)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)51(60)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h48,55-57,63H,4-47H2,1-3H3,(H,61,62)