5-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-2-(phenylmethyl)pentanoic acid

Systemtic Name: 5-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-2-(phenylmethyl)pentanoic acid Openeye Name: 2-benzyl-4-(tert-butoxycarbonylamino)-5-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-5-oxo-pentanoic acid CAS Name: 5-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-5-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: 2-benzyl-4-(tert-butoxycarbonylamino)-5-keto-5-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-yl)valeric acid Formula: C25H29N2O6S+ MolecularWeight: 485.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(CC1=CC=CC=C1)C(=O)O)C(=O)[N+]2(C3=CC=CC=C3SC2=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(CC1=CC=CC=C1)C(=O)O)C(=O)[N+]2(C3=CC=CC=C3SC2=O)C

InChI

InChI=1S/C25H28N2O6S/c1-25(2,3)33-23(31)26-18(15-17(22(29)30)14-16-10-6-5-7-11-16)21(28)27(4)19-12-8-9-13-20(19)34-24(27)32/h5-13,17-18H,14-15H2,1-4H3,(H-,26,29,30,31)/p+1