1,3-thiazol-5-ylmethyl N-[7-methyl-5-[4-(3-methyl-2-oxidanylidene-4,5-dihydropyrimidin-1-ium-1-yl)butanoylamino]-3-oxidanyl-1-phenyl-octan-2-yl]carbamate

Systemtic Name: 1,3-thiazol-5-ylmethyl N-[7-methyl-5-[4-(3-methyl-2-oxidanylidene-4,5-dihydropyrimidin-1-ium-1-yl)butanoylamino]-3-oxidanyl-1-phenyl-octan-2-yl]carbamate Openeye Name: thiazol-5-ylmethyl N-[1-benzyl-2-hydroxy-6-methyl-4-[4-(3-methyl-2-oxo-4,5-dihydropyrimidin-1-ium-1-yl)butanoylamino]heptyl]carbamate CAS Name: N-[3-hydroxy-7-methyl-5-[[4-(3-methyl-2-oxo-4,5-dihydropyrimidin-1-ium-1-yl)-1-oxobutyl]amino]-1-phenyloctan-2-yl]carbamic acid 5-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-5-ylmethyl N-[3-hydroxy-7-methyl-5-[4-(3-methyl-2-oxo-4,5-dihydropyrimidin-1-ium-1-yl)butanoylamino]-1-phenyloctan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-hydroxy-4-[4-(2-keto-3-methyl-4,5-dihydropyrimidin-1-ium-1-yl)butanoylamino]-6-methyl-heptyl]carbamic acid thiazol-5-ylmethyl ester Formula: C29H42N5O5S+ MolecularWeight: 572.73928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)O)NC(=O)CCC[N+]3=CCCN(C3=O)C

Isomeric SMILES

CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)O)NC(=O)CCC[N+]3=CCCN(C3=O)C

InChI

InChI=1S/C29H41N5O5S/c1-21(2)15-23(31-27(36)11-7-13-34-14-8-12-33(3)29(34)38)17-26(35)25(16-22-9-5-4-6-10-22)32-28(37)39-19-24-18-30-20-40-24/h4-6,9-10,14,18,20-21,23,25-26,35H,7-8,11-13,15-17,19H2,1-3H3,(H-,31,32,36,37)/p+1