[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C22H26N2O4S/c1-3-15(2)21(16-9-5-4-6-10-16)22(27)28-13-20(26)24-17-11-7-8-12-18(17)29-14-19(23)25/h4-12,15,21H,3,13-14H2,1-2H3,(H2,23,25)(H,24,26)/t15-,21+/m0/s1