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

Systemtic Name: methyl (2S)-2-[[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-2-(1-naphthyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-2-(1-naphthyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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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=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)[C@H](CS)N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H29N3O4S2/c1-33-26(32)23(12-13-35-2)29-24(30)20-11-10-17(28-25(31)22(27)15-34)14-21(20)19-9-5-7-16-6-3-4-8-18(16)19/h3-11,14,22-23,34H,12-13,15,27H2,1-2H3,(H,28,31)(H,29,30)/t22-,23-/m0/s1