(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-3-hexadecanoyloxy-2-hexanoyloxy-propyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-3-hexadecanoyloxy-2-hexanoyloxy-propyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-3-hexadecanoyloxy-2-hexanoyloxy-propyl]sulfanyl-propanoic acid CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[[(2R)-3-(1-oxohexadecoxy)-2-(1-oxohexoxy)propyl]thio]propanoic acid IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-3-hexadecanoyloxy-2-hexanoyloxypropyl]sulfanylpropanoic acid Traditional Name: (2R)-3-[[(2R)-2-caproyloxy-3-hexadecanoyloxy-propyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C43H63NO8S MolecularWeight: 754.02722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)CCCCC

InChI

InChI=1S/C43H63NO8S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-27-40(45)50-29-33(52-41(46)28-17-6-4-2)31-53-32-39(42(47)48)44-43(49)51-30-38-36-25-21-19-23-34(36)35-24-20-22-26-37(35)38/h19-26,33,38-39H,3-18,27-32H2,1-2H3,(H,44,49)(H,47,48)/t33-,39+/m1/s1