methyl (2S)-2-[[4-[[(2S)-2-azanylbutyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-[[(2S)-2-azanylbutyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[(2S)-2-aminobutyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[(2S)-2-aminobutyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[(2S)-2-aminobutyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[(2S)-2-aminobutyl]amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2)N

Isomeric SMILES

CC[C@@H](CNC1=CC(=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)OC)C2=CC=CC=C2)N

InChI

InChI=1S/C23H31N3O3S/c1-4-17(24)15-25-18-10-11-19(20(14-18)16-8-6-5-7-9-16)22(27)26-21(12-13-30-3)23(28)29-2/h5-11,14,17,21,25H,4,12-13,15,24H2,1-3H3,(H,26,27)/t17-,21-/m0/s1