propan-2-yl (2S)-2-[acetamido(phenylmethoxycarbonyl)amino]-5-methylsulfonyloxy-pentanoate

Systemtic Name: propan-2-yl (2S)-2-[acetamido(phenylmethoxycarbonyl)amino]-5-methylsulfonyloxy-pentanoate Openeye Name: isopropyl (2S)-2-[acetamido(benzyloxycarbonyl)amino]-5-methylsulfonyloxy-pentanoate CAS Name: (2S)-2-[acetamido(phenylmethoxycarbonyl)amino]-5-methylsulfonyloxypentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[acetamido(phenylmethoxycarbonyl)amino]-5-methylsulfonyloxypentanoate Traditional Name: (2S)-2-[acetamido(carbobenzoxy)amino]-5-methylsulfonyloxy-valeric acid isopropyl ester Formula: C19H28N2O8S MolecularWeight: 444.49922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCCOS(=O)(=O)C)N(C(=O)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC(C)OC(=O)[C@H](CCCOS(=O)(=O)C)N(C(=O)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C19H28N2O8S/c1-14(2)29-18(23)17(11-8-12-28-30(4,25)26)21(20-15(3)22)19(24)27-13-16-9-6-5-7-10-16/h5-7,9-10,14,17H,8,11-13H2,1-4H3,(H,20,22)/t17-/m0/s1