methyl (2R)-3-[(5-fluoranyl-2-oxidanylidene-1-propyl-3H-indol-3-yl)sulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-[(5-fluoranyl-2-oxidanylidene-1-propyl-3H-indol-3-yl)sulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-2-oxo-1-propyl-indolin-3-yl)sulfanyl-propanoate CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(5-fluoro-2-oxo-1-propyl-3H-indol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(5-fluoro-2-oxo-1-propyl-3H-indol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(5-fluoro-2-keto-1-propyl-indolin-3-yl)thio]propionic acid methyl ester Formula: C30H29FN2O5S MolecularWeight: 548.625063

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)F)C(C1=O)SCC(C(=O)OC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)F)C(C1=O)SC[C@@H](C(=O)OC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H29FN2O5S/c1-3-14-33-26-13-12-18(31)15-23(26)27(28(33)34)39-17-25(29(35)37-2)32-30(36)38-16-24-21-10-6-4-8-19(21)20-9-5-7-11-22(20)24/h4-13,15,24-25,27H,3,14,16-17H2,1-2H3,(H,32,36)/t25-,27?/m0/s1