2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]acetate Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)[O-])[NH3+]

InChI

InChI=1S/C16H23N3O4S/c1-24-8-7-12(17)15(22)19-13(16(23)18-10-14(20)21)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,23)(H,19,22)(H,20,21)/t12-,13-/m0/s1