2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid Openeye Name: 3-[[3-hydroxy-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-oxo-propyl]disulfanyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[3-hydroxy-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-oxopropyl]disulfanyl]-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[3-hydroxy-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-oxopropyl]disulfanyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[3-hydroxy-3-keto-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propyl]disulfanyl]-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid Formula: C26H28N2O8S2 MolecularWeight: 560.63912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(CSSCC(C(=O)O)NC(=O)C=CC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(C(=O)O)CSSCC(NC(=O)/C=C/C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C26H28N2O8S2/c1-35-19-9-3-17(4-10-19)7-13-23(29)27-21(25(31)32)15-37-38-16-22(26(33)34)28-24(30)14-8-18-5-11-20(36-2)12-6-18/h3-14,21-22H,15-16H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b13-7+,14-8+