(4-benzamido-5-phenyl-pentan-2-yl)oxy-[[3-(carboxymethyl)-4-oxidanylidene-3-phenyl-1,3-thiazinan-3-ium-5-yl]amino]-oxidanylidene-phosphanium

Systemtic Name: (4-benzamido-5-phenyl-pentan-2-yl)oxy-[[3-(carboxymethyl)-4-oxidanylidene-3-phenyl-1,3-thiazinan-3-ium-5-yl]amino]-oxidanylidene-phosphanium Openeye Name: (3-benzamido-1-methyl-4-phenyl-butoxy)-[[3-(carboxymethyl)-4-oxo-3-phenyl-1,3-thiazinan-3-ium-5-yl]amino]-oxo-phosphonium CAS Name: (4-benzamido-5-phenylpentan-2-yl)oxy-[[3-(carboxymethyl)-4-oxo-3-phenyl-1,3-thiazinan-3-ium-5-yl]amino]-oxophosphonium IUPAC Name: (4-benzamido-5-phenylpentan-2-yl)oxy-[[3-(carboxymethyl)-4-oxo-3-phenyl-1,3-thiazinan-3-ium-5-yl]amino]-oxophosphanium Traditional Name: (3-benzamido-1-methyl-4-phenyl-butoxy)-[[3-(carboxymethyl)-4-keto-3-phenyl-1,3-thiazinan-3-ium-5-yl]amino]-keto-phosphonium Formula: C30H34N3O6PS+2 MolecularWeight: 595.646221

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O[P+](=O)NC3CSC[N+](C3=O)(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(CC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O[P+](=O)NC3CSC[N+](C3=O)(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H32N3O6PS/c1-22(17-25(18-23-11-5-2-6-12-23)31-29(36)24-13-7-3-8-14-24)39-40(38)32-27-20-41-21-33(30(27)37,19-28(34)35)26-15-9-4-10-16-26/h2-16,22,25,27H,17-21H2,1H3,(H-2,31,32,34,35,36,38)/p+2