2-azanyl-5-[[3-[2-(3-azanyl-4-bromanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[2-(3-azanyl-4-bromanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[[2-(3-amino-4-bromo-phenyl)-2-oxo-ethyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[2-(3-amino-4-bromophenyl)-2-oxoethyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[2-(3-amino-4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[[2-(3-amino-4-bromo-phenyl)-2-keto-ethyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H23BrN4O7S MolecularWeight: 519.36682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N)Br

InChI

InChI=1S/C18H23BrN4O7S/c19-10-2-1-9(5-12(10)21)14(24)8-31-7-13(17(28)22-6-16(26)27)23-15(25)4-3-11(20)18(29)30/h1-2,5,11,13H,3-4,6-8,20-21H2,(H,22,28)(H,23,25)(H,26,27)(H,29,30)