2-[2-[2-[[(2R)-2-azanyl-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[[(2R)-2-azanyl-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[(2R)-2-amino-3-[[(2R)-2,3-bis(1-oxohexadecoxy)propyl]thio]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[(2R)-2-amino-3-[[(2R)-2,3-di(hexadecanoyloxy)propyl]thio]propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid Formula: C44H82N4O9S MolecularWeight: 843.20828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NCC(=O)NCC(=O)O)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)O)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H82N4O9S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(53)56-34-37(57-43(54)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-58-36-38(45)44(55)48-32-40(50)46-31-39(49)47-33-41(51)52/h37-38H,3-36,45H2,1-2H3,(H,46,50)(H,47,49)(H,48,55)(H,51,52)/t37-,38+/m1/s1