2-azanyl-3-[[2-azanyl-3-[2-methoxy-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]-3-oxidanylidene-propyl]disulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[2-azanyl-3-[2-methoxy-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]-3-oxidanylidene-propyl]disulfanyl]propanoic acid Openeye Name: 2-amino-3-[[2-amino-3-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]-3-oxo-propyl]disulfanyl]propanoic acid CAS Name: 2-amino-3-[[2-amino-3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenoxy]-3-oxopropyl]disulfanyl]propanoic acid IUPAC Name: 2-amino-3-[[2-amino-3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methoxyphenoxy]-3-oxopropyl]disulfanyl]propanoic acid Traditional Name: 2-amino-3-[[2-amino-3-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-methoxy-phenoxy]-3-keto-propyl]disulfanyl]propionic acid Formula: C16H20N2O7S2 MolecularWeight: 416.4692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)OC(=O)C(CSSCC(C(=O)O)N)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(=O)C(CSSCC(C(=O)O)N)N

InChI

InChI=1S/C16H20N2O7S2/c1-24-13-6-9(3-5-14(19)20)2-4-12(13)25-16(23)11(18)8-27-26-7-10(17)15(21)22/h2-6,10-11H,7-8,17-18H2,1H3,(H,19,20)(H,21,22)/b5-3+