(2R)-2-[3-(4-azido-3-iodanyl-phenyl)propanoylamino]-3-(pyridin-2-yldisulfanyl)propanoic acid

Systemtic Name: (2R)-2-[3-(4-azido-3-iodanyl-phenyl)propanoylamino]-3-(pyridin-2-yldisulfanyl)propanoic acid Openeye Name: (2R)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-(2-pyridyldisulfanyl)propanoic acid CAS Name: (2R)-2-[[3-(4-azido-3-iodophenyl)-1-oxopropyl]amino]-3-(2-pyridinyldisulfanyl)propanoic acid IUPAC Name: (2R)-2-[3-(4-azido-3-iodophenyl)propanoylamino]-3-(pyridin-2-yldisulfanyl)propanoic acid Traditional Name: (2R)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-(2-pyridyldisulfanyl)propionic acid Formula: C17H16IN5O3S2 MolecularWeight: 529.37511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SSCC(C(=O)O)NC(=O)CCC2=CC(=C(C=C2)N=[N+]=[N-])I

Isomeric SMILES

C1=CC=NC(=C1)SSC[C@@H](C(=O)O)NC(=O)CCC2=CC(=C(C=C2)N=[N+]=[N-])I

InChI

InChI=1S/C17H16IN5O3S2/c18-12-9-11(4-6-13(12)22-23-19)5-7-15(24)21-14(17(25)26)10-27-28-16-3-1-2-8-20-16/h1-4,6,8-9,14H,5,7,10H2,(H,21,24)(H,25,26)/t14-/m0/s1