(phenylmethyl) (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-pentanoate Openeye Name: benzyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-pentanoate CAS Name: (4S)-4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-isothiocyanatopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanatopentanoate Traditional Name: (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-valeric acid benzyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(CN=C=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC[C@@H](CN=C=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H26N2O4S/c31-27(33-17-20-8-2-1-3-9-20)15-14-21(16-29-19-35)30-28(32)34-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,21,26H,14-18H2,(H,30,32)/t21-/m0/s1