(2S)-2-[[4-[[(2R)-2-azaniumyl-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-[[(2R)-2-azaniumyl-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-[[(2R)-2-azaniumyl-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[(2R)-2-ammonio-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-[[(2R)-2-azaniumyl-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[(2R)-2-ammonio-3-mercapto-propyl]amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)NCC(CS)[NH3+])C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1