2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]ethanoylamino]-3-hexadecanoylsulfanyl-propanoic acid trihydrate

Systemtic Name: 2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]ethanoylamino]-3-hexadecanoylsulfanyl-propanoic acid trihydrate Openeye Name: 2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-hexadecanoylsulfanyl-propanoic acid trihydrate CAS Name: 2-[[2-[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(1-oxohexadecylthio)propanoic acid trihydrate IUPAC Name: 2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-hexadecanoylsulfanylpropanoic acid trihydrate Traditional Name: 2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-(hexadecanoylthio)propionic acid trihydrate Formula: C38H59N3O10S MolecularWeight: 749.95416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O.O.O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O.O.O

InChI

InChI=1S/C38H53N3O7S.3H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-36(44)49-27-33(37(45)46)41-35(43)25-39-34(42)24-40-38(47)48-26-32-30-21-17-15-19-28(30)29-20-16-18-22-31(29)32;;;/h15-22,32-33H,2-14,23-27H2,1H3,(H,39,42)(H,40,47)(H,41,43)(H,45,46);3*1H2