9H-fluoren-9-ylmethyl N-[(2S)-1-[2-(benzotriazol-1-ylcarbonyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[2-(benzotriazol-1-ylcarbonyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-[2-(benzotriazole-1-carbonyl)pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-[2-[1-benzotriazolyl(oxo)methyl]-1-pyrrolidinyl]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[2-(benzotriazole-1-carbonyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[2-(benzotriazole-1-carbonyl)pyrrolidine-1-carbonyl]-3-(methylthio)propyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C31H31N5O4S MolecularWeight: 569.67394

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCCC1C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C31H31N5O4S/c1-41-18-16-26(29(37)35-17-8-15-28(35)30(38)36-27-14-7-6-13-25(27)33-34-36)32-31(39)40-19-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-7,9-14,24,26,28H,8,15-19H2,1H3,(H,32,39)/t26-,28?/m0/s1