(phenylmethyl) N-[6-azanyl-1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-hexan-2-yl]-N-phenylmethoxycarbonyl-carbamate

Systemtic Name: (phenylmethyl) N-[6-azanyl-1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-hexan-2-yl]-N-phenylmethoxycarbonyl-carbamate Openeye Name: benzyl N-[5-amino-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-carbonyl)pentyl]-N-benzyloxycarbonyl-carbamate CAS Name: N-[6-amino-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxohexan-2-yl]-N-phenylmethoxycarbonylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-amino-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxohexan-2-yl]-N-phenylmethoxycarbonylcarbamate Traditional Name: N-[5-amino-1-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-carbonyl)pentyl]-N-carbobenzoxy-carbamic acid benzyl ester Formula: C30H32N3O6S+ MolecularWeight: 562.65658

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2SC1=O)C(=O)C(CCCCN)N(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(C2=CC=CC=C2SC1=O)C(=O)C(CCCCN)N(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H32N3O6S/c1-33(25-17-8-9-18-26(25)40-30(33)37)27(34)24(16-10-11-19-31)32(28(35)38-20-22-12-4-2-5-13-22)29(36)39-21-23-14-6-3-7-15-23/h2-9,12-15,17-18,24H,10-11,16,19-21,31H2,1H3/q+1