8-[(2-azanyl-3-sulfanyl-propanoyl)amino]-2-(4-nonylphenyl)-7-oxidanylidene-octanoic acid

Systemtic Name: 8-[(2-azanyl-3-sulfanyl-propanoyl)amino]-2-(4-nonylphenyl)-7-oxidanylidene-octanoic acid Openeye Name: 8-[(2-amino-3-sulfanyl-propanoyl)amino]-2-(4-nonylphenyl)-7-oxo-octanoic acid CAS Name: 8-[(2-amino-3-mercapto-1-oxopropyl)amino]-2-(4-nonylphenyl)-7-oxooctanoic acid IUPAC Name: 8-[(2-amino-3-sulfanylpropanoyl)amino]-2-(4-nonylphenyl)-7-oxooctanoic acid Traditional Name: 8-[(2-amino-3-mercapto-propanoyl)amino]-7-keto-2-(4-nonylphenyl)caprylic acid Formula: C26H42N2O4S MolecularWeight: 478.68768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)CNC(=O)C(CS)N)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)CNC(=O)C(CS)N)C(=O)O

InChI

InChI=1S/C26H42N2O4S/c1-2-3-4-5-6-7-8-11-20-14-16-21(17-15-20)23(26(31)32)13-10-9-12-22(29)18-28-25(30)24(27)19-33/h14-17,23-24,33H,2-13,18-19,27H2,1H3,(H,28,30)(H,31,32)