methyl (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate CAS Name: (2R)-2-[[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-mercapto-1-oxopropyl]amino]-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoate Traditional Name: (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-mercapto-propanoyl]amino]-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propionic acid methyl ester Formula: C37H48N2O5S2 MolecularWeight: 664.91742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)NC(=O)C(CS)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)NC(=O)[C@H](CS)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)/C)/C)C

InChI

InChI=1S/C37H48N2O5S2/c1-25(2)12-10-13-26(3)14-11-15-27(4)20-21-46-24-34(36(41)43-5)38-35(40)33(23-45)39-37(42)44-22-32-30-18-8-6-16-28(30)29-17-7-9-19-31(29)32/h6-9,12,14,16-20,32-34,45H,10-11,13,15,21-24H2,1-5H3,(H,38,40)(H,39,42)/b26-14+,27-20+/t33-,34-/m0/s1