6-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[2-[(3-iodanylphenyl)amino]ethanoylamino]hexanoic acid

Systemtic Name: 6-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[2-[(3-iodanylphenyl)amino]ethanoylamino]hexanoic acid Openeye Name: 6-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]-2-[[2-(3-iodoanilino)acetyl]amino]hexanoic acid CAS Name: 6-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]-2-[[2-(3-iodoanilino)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2-[[2-(3-iodoanilino)acetyl]amino]hexanoic acid Traditional Name: 6-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]-2-[[2-(3-iodoanilino)acetyl]amino]hexanoic acid Formula: C21H27IN4O7S MolecularWeight: 606.43115

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCCCC(C(=O)O)NC(=O)CNC2=CC(=CC=C2)I)SCC(C(=O)O)N

Isomeric SMILES

C1C(C(=O)N(C1=O)CCCCC(C(=O)O)NC(=O)CNC2=CC(=CC=C2)I)SCC(C(=O)O)N

InChI

InChI=1S/C21H27IN4O7S/c22-12-4-3-5-13(8-12)24-10-17(27)25-15(21(32)33)6-1-2-7-26-18(28)9-16(19(26)29)34-11-14(23)20(30)31/h3-5,8,14-16,24H,1-2,6-7,9-11,23H2,(H,25,27)(H,30,31)(H,32,33)