methyl (2S,3S)-3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoate Traditional Name: (2S,3S)-2-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-3-methyl-valeric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-5-12(2)16(18(22)25-3)19-17(21)14-8-9-15-13(11-14)7-6-10-20(15)26(4,23)24/h8-9,11-12,16H,5-7,10H2,1-4H3,(H,19,21)/t12-,16-/m0/s1