7-azanyl-2-[1-azanyl-2-oxidanylidene-3,5-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]pentyl]-9-bromanyl-8-oxidanylidene-nonanoic acid

Systemtic Name: 7-azanyl-2-[1-azanyl-2-oxidanylidene-3,5-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]pentyl]-9-bromanyl-8-oxidanylidene-nonanoic acid Openeye Name: 7-amino-2-[1-amino-2-oxo-3,5-bis[(3-oxo-3-phenyl-propanethioyl)amino]pentyl]-9-bromo-8-oxo-nonanoic acid CAS Name: 7-amino-2-[1-amino-2-oxo-3,5-bis[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]pentyl]-9-bromo-8-oxononanoic acid IUPAC Name: 7-amino-2-[1-amino-2-oxo-3,5-bis[(3-oxo-3-phenylpropanethioyl)amino]pentyl]-9-bromo-8-oxononanoic acid Traditional Name: 7-amino-2-[1-amino-2-keto-3,5-bis[(3-keto-3-phenyl-propanethioyl)amino]pentyl]-9-bromo-8-keto-pelargonic acid Formula: C32H39BrN4O6S2 MolecularWeight: 719.70926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=S)NCCC(C(=O)C(C(CCCCC(C(=O)CBr)N)C(=O)O)N)NC(=S)CC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=S)NCCC(C(=O)C(C(CCCCC(C(=O)CBr)N)C(=O)O)N)NC(=S)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H39BrN4O6S2/c33-19-27(40)23(34)14-8-7-13-22(32(42)43)30(35)31(41)24(37-29(45)18-26(39)21-11-5-2-6-12-21)15-16-36-28(44)17-25(38)20-9-3-1-4-10-20/h1-6,9-12,22-24,30H,7-8,13-19,34-35H2,(H,36,44)(H,37,45)(H,42,43)