[6-azanyl-3,4-bis[[2-(2-sulfanylethanoylamino)phenyl]carbonyl]hexyl] dihydrogen phosphate

Systemtic Name: [6-azanyl-3,4-bis[[2-(2-sulfanylethanoylamino)phenyl]carbonyl]hexyl] dihydrogen phosphate Openeye Name: [6-amino-3,4-bis[2-[(2-sulfanylacetyl)amino]benzoyl]hexyl] dihydrogen phosphate CAS Name: [6-amino-3,4-bis[[2-[(2-mercapto-1-oxoethyl)amino]phenyl]-oxomethyl]hexyl] dihydrogen phosphate IUPAC Name: [6-amino-3,4-bis[2-[(2-sulfanylacetyl)amino]benzoyl]hexyl] dihydrogen phosphate Traditional Name: [6-amino-3,4-bis[2-[(2-mercaptoacetyl)amino]benzoyl]hexyl] dihydrogen phosphate Formula: C24H30N3O8PS2 MolecularWeight: 583.614061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(CCN)C(CCOP(=O)(O)O)C(=O)C2=CC=CC=C2NC(=O)CS)NC(=O)CS

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(CCN)C(CCOP(=O)(O)O)C(=O)C2=CC=CC=C2NC(=O)CS)NC(=O)CS

InChI

InChI=1S/C24H30N3O8PS2/c25-11-9-15(23(30)17-5-1-3-7-19(17)26-21(28)13-37)16(10-12-35-36(32,33)34)24(31)18-6-2-4-8-20(18)27-22(29)14-38/h1-8,15-16,37-38H,9-14,25H2,(H,26,28)(H,27,29)(H2,32,33,34)