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

Systemtic Name: methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]phenyl]sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]phenyl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]phenyl]sulfonylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H23N3O5S3 MolecularWeight: 421.55522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O5S3/c1-23-15(20)13(7-8-25-2)18-26(21,22)11-5-3-10(4-6-11)17-14(19)12(16)9-24/h3-6,12-13,18,24H,7-9,16H2,1-2H3,(H,17,19)/t12-,13-/m0/s1