[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioyl]-phenethyl-amino] benzoate

Systemtic Name: [[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioyl]-phenethyl-amino] benzoate Openeye Name: [[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioyl]-phenethyl-amino] benzoate CAS Name: benzoic acid [[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methyl-1-sulfanylidenepentyl]-phenethylamino] ester IUPAC Name: [[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanethioyl]-phenethylamino] benzoate Traditional Name: benzoic acid [[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanethioyl]-phenethyl-amino] ester Formula: C36H36N2O4S MolecularWeight: 592.74704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)N(CCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)C[C@@H](C(=S)N(CCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C36H36N2O4S/c1-25(2)23-33(37-36(40)41-24-32-30-19-11-9-17-28(30)29-18-10-12-20-31(29)32)34(43)38(22-21-26-13-5-3-6-14-26)42-35(39)27-15-7-4-8-16-27/h3-20,25,32-33H,21-24H2,1-2H3,(H,37,40)/t33-/m0/s1