8-azanyl-6-[(E)-2-naphthalen-2-ylethenyl]-5-oxidanyl-7-oxidanylidene-9-sulfanyl-nonanoic acid

Systemtic Name: 8-azanyl-6-[(E)-2-naphthalen-2-ylethenyl]-5-oxidanyl-7-oxidanylidene-9-sulfanyl-nonanoic acid Openeye Name: 8-amino-5-hydroxy-6-[(E)-2-(2-naphthyl)vinyl]-7-oxo-9-sulfanyl-nonanoic acid CAS Name: 8-amino-5-hydroxy-9-mercapto-6-[(E)-2-(2-naphthalenyl)ethenyl]-7-oxononanoic acid IUPAC Name: 8-amino-5-hydroxy-6-[(E)-2-naphthalen-2-ylethenyl]-7-oxo-9-sulfanylnonanoic acid Traditional Name: (E)-6-(2-amino-3-mercapto-propanoyl)-5-hydroxy-8-(2-naphthyl)oct-7-enoic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C=CC(C(CCCC(=O)O)O)C(=O)C(CS)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)/C=C/C(C(CCCC(=O)O)O)C(=O)C(CS)N

InChI

InChI=1S/C21H25NO4S/c22-18(13-27)21(26)17(19(23)6-3-7-20(24)25)11-9-14-8-10-15-4-1-2-5-16(15)12-14/h1-2,4-5,8-12,17-19,23,27H,3,6-7,13,22H2,(H,24,25)/b11-9+