(3Z)-5-acetamido-3-[[4-[4,4-dimethyl-5-[methyl(octadecyl)sulfamoyl]-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]oxyphenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-acetamido-3-[[4-[4,4-dimethyl-5-[methyl(octadecyl)sulfamoyl]-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]oxyphenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-acetamido-3-[[4-[3,3-dimethyl-4-[methyl(octadecyl)sulfamoyl]-2-oxo-1-(phenylcarbamoyl)butoxy]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-acetamido-3-[[4-[1-anilino-4,4-dimethyl-5-[methyl(octadecyl)sulfamoyl]-1,3-dioxopentan-2-yl]oxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-acetamido-3-[[4-[1-anilino-4,4-dimethyl-5-[methyl(octadecyl)sulfamoyl]-1,3-dioxopentan-2-yl]oxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-acetamido-4-keto-3-[[4-[2-keto-3,3-dimethyl-4-[methyl(stearyl)sulfamoyl]-1-(phenylcarbamoyl)butoxy]phenyl]hydrazono]naphthalene-2,7-disulfonic acid Formula: C50H69N5O13S3 MolecularWeight: 1044.30356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)CC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1)OC2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)CC(C)(C)C(=O)C(C(=O)NC1=CC=CC=C1)OC2=CC=C(C=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C50H69N5O13S3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-55(5)69(60,61)35-50(3,4)48(58)47(49(59)52-38-25-22-21-23-26-38)68-40-29-27-39(28-30-40)53-54-45-43(71(65,66)67)33-37-32-41(70(62,63)64)34-42(51-36(2)56)44(37)46(45)57/h21-23,25-30,32-34,47,53H,6-20,24,31,35H2,1-5H3,(H,51,56)(H,52,59)(H,62,63,64)(H,65,66,67)/b54-45+