methyl (2R)-2-[[(2R)-4-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(2R)-4-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2R)-4-methyl-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1-oxopentyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]pentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2R)-4-methyl-2-[[2-(methylthio)nicotinoyl]amino]pentanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CCSC)C(=O)OC)NC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C19H29N3O4S2/c1-12(2)11-15(17(24)21-14(8-10-27-4)19(25)26-3)22-16(23)13-7-6-9-20-18(13)28-5/h6-7,9,12,14-15H,8,10-11H2,1-5H3,(H,21,24)(H,22,23)/t14-,15-/m1/s1