S-[3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-2-benzyl-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-benzyl-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-2-benzyl-3-keto-propyl] ester Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CSCC[C@@H](C(=O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C22H26N2O3S2/c1-28-13-12-19(23)21(26)24-20(25)18(14-16-8-4-2-5-9-16)15-29-22(27)17-10-6-3-7-11-17/h2-11,18-19H,12-15,23H2,1H3,(H,24,25,26)/t18?,19-/m0/s1