[4-[[4-(hydroxymethyl)phenoxy]carbonyloxymethyl]phenyl] (2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: [4-[[4-(hydroxymethyl)phenoxy]carbonyloxymethyl]phenyl] (2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: [4-[[4-(hydroxymethyl)phenoxy]carbonyloxymethyl]phenyl] (2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methylpentanoic acid [4-[[[4-(hydroxymethyl)phenoxy]-oxomethoxy]methyl]phenyl] ester IUPAC Name: [4-[[4-(hydroxymethyl)phenoxy]carbonyloxymethyl]phenyl] (2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-valeric acid [4-[(4-methylolphenoxy)carbonyloxymethyl]phenyl] ester Formula: C27H34N2O8S MolecularWeight: 546.63246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)CO)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)CO)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C27H34N2O8S/c1-18(2)14-24(29-25(32)23(28-17-31)12-13-38-3)26(33)36-21-10-6-20(7-11-21)16-35-27(34)37-22-8-4-19(15-30)5-9-22/h4-11,17-18,23-24,30H,12-16H2,1-3H3,(H,28,31)(H,29,32)/t23-,24-/m0/s1