methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)C(CS)N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)[C@H](CS)N)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4S2/c1-29-22(28)19(10-11-31-2)25-20(26)16-9-8-15(24-21(27)18(23)13-30)12-17(16)14-6-4-3-5-7-14/h3-9,12,18-19,30H,10-11,13,23H2,1-2H3,(H,24,27)(H,25,26)/t18-,19-/m0/s1