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

Systemtic Name: methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S2/c1-23-16(22)13(7-8-25-2)19-14(20)10-3-5-11(6-4-10)18-15(21)12(17)9-24/h3-6,12-13,24H,7-9,17H2,1-2H3,(H,18,21)(H,19,20)/t12-,13-/m0/s1