methyl (2S)-2-[[3-[3-(1H-imidazol-5-yl)propylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-[3-(1H-imidazol-5-yl)propylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-[3-(1H-imidazol-5-yl)propylamino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-[3-(1H-imidazol-5-yl)propylamino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-[3-(1H-imidazol-5-yl)propylamino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-[3-(1H-imidazol-5-yl)propylamino]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)NCCCC2=CN=CN2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)NCCCC2=CN=CN2

InChI

InChI=1S/C19H26N4O3S/c1-26-19(25)17(8-10-27-2)23-18(24)14-5-3-6-15(11-14)21-9-4-7-16-12-20-13-22-16/h3,5-6,11-13,17,21H,4,7-10H2,1-2H3,(H,20,22)(H,23,24)/t17-/m0/s1