(3R)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[(4-methyl-2-phenyl-thiazol-5-yl)carbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[[(4-methyl-2-phenyl-5-thiazolyl)amino]-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[(4-methyl-2-phenyl-thiazol-5-yl)carbamoylamino]-4-(trimethylammonio)butyrate Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)NC(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)NC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C18H24N4O3S/c1-12-16(26-17(19-12)13-8-6-5-7-9-13)21-18(25)20-14(10-15(23)24)11-22(2,3)4/h5-9,14H,10-11H2,1-4H3,(H2-,20,21,23,24,25)/t14-/m1/s1