methyl (3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]carbamothioylamino]butanoate

Systemtic Name: methyl (3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]carbamothioylamino]butanoate Openeye Name: methyl (3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]carbamothioylamino]butanoate CAS Name: (3S)-3-[[[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methylpentyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentyl]carbamothioylamino]butanoate Traditional Name: (3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]thiocarbamoylamino]butyric acid methyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=S)NC(C)CC(=O)OC)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

C[C@@H](CC(=O)OC)NC(=S)NC[C@H](CC(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C27H35N3O4S/c1-17(2)13-19(15-28-26(35)29-18(3)14-25(31)33-4)30-27(32)34-16-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,17-19,24H,13-16H2,1-4H3,(H,30,32)(H2,28,29,35)/t18-,19-/m0/s1