methyl (2S)-2-[[5-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]naphthalen-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]naphthalen-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[5-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[5-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-naphthalenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-1-naphthoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=CC2=C1C=CC=C2NC(=O)C(CS)N

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC2=C1C=CC=C2NC(=O)[C@H](CS)N

InChI

InChI=1S/C20H25N3O4S2/c1-27-20(26)17(9-10-29-2)23-18(24)14-7-3-6-13-12(14)5-4-8-16(13)22-19(25)15(21)11-28/h3-8,15,17,28H,9-11,21H2,1-2H3,(H,22,25)(H,23,24)/t15-,17-/m0/s1