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

Systemtic Name: methyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]carbamothioylamino]propanoate Openeye Name: methyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]carbamothioylamino]propanoate CAS Name: 3-[[[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methylpentyl]amino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentyl]carbamothioylamino]propanoate Traditional Name: 3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentyl]thiocarbamoylamino]propionic acid methyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-17(2)14-18(15-28-25(34)27-13-12-24(30)32-3)29-26(31)33-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23H,12-16H2,1-3H3,(H,29,31)(H2,27,28,34)/t18-/m0/s1