2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]pentanoylamino]-3-(2-iodanylethanoylamino)propanoic acid

Systemtic Name: 2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]pentanoylamino]-3-(2-iodanylethanoylamino)propanoic acid Openeye Name: 2-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]pentanoylamino]-3-[(2-iodoacetyl)amino]propanoic acid CAS Name: 2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopentyl]amino]-3-[(2-iodo-1-oxoethyl)amino]propanoic acid IUPAC Name: 2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]pentanoylamino]-3-[(2-iodoacetyl)amino]propanoic acid Traditional Name: 2-[2-[[2-amino-4-(methylthio)butanoyl]amino]pentanoylamino]-3-[(2-iodoacetyl)amino]propionic acid Formula: C15H27IN4O5S MolecularWeight: 502.36815

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CNC(=O)CI)C(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CCCC(C(=O)NC(CNC(=O)CI)C(=O)O)NC(=O)C(CCSC)N

InChI

InChI=1S/C15H27IN4O5S/c1-3-4-10(19-13(22)9(17)5-6-26-2)14(23)20-11(15(24)25)8-18-12(21)7-16/h9-11H,3-8,17H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)(H,24,25)