5-azanyl-4-[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[2-[[3-[2,3-bis(1-oxohexadecoxy)propylthio]-1-oxo-2-(1-oxohexadecylamino)propyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-4-[2-[[3-[2,3-di(hexadecanoyloxy)propylthio]-2-palmitamido-propanoyl]amino]propanoylamino]-5-keto-valeric acid Formula: C62H116N4O10S MolecularWeight: 1109.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N

InChI

InChI=1S/C62H116N4O10S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-56(67)65-55(62(74)64-52(4)61(73)66-54(60(63)72)47-48-57(68)69)51-77-50-53(76-59(71)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)49-75-58(70)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h52-55H,5-51H2,1-4H3,(H2,63,72)(H,64,74)(H,65,67)(H,66,73)(H,68,69)