2-[(2-azanyl-3-sulfanyl-propanoyl)-[2,3-di(hexadecanoyloxy)propyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)-[2,3-di(hexadecanoyloxy)propyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)-[2,3-di(hexadecanoyloxy)propyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)-[2,3-bis(1-oxohexadecoxy)propyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)-[2,3-di(hexadecanoyloxy)propyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)-[2,3-di(hexadecanoyloxy)propyl]amino]-3-hydroxy-propionic acid Formula: C41H78N2O8S MolecularWeight: 759.13162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CN(C(CO)C(=O)O)C(=O)C(CS)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CN(C(CO)C(=O)O)C(=O)C(CS)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H78N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(45)50-33-35(31-43(37(32-44)41(48)49)40(47)36(42)34-52)51-39(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,44,52H,3-34,42H2,1-2H3,(H,48,49)