4-[(3-naphthalen-2-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid

Systemtic Name: 4-[(3-naphthalen-2-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-hydroxy-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-4-oxo-3-[(3-phenyl-2-sulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-2-keto-1-(2-naphthylmethyl)ethyl]amino]-4-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]butyric acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)S

InChI

InChI=1S/C26H26N2O6S/c29-23(30)15-20(27-25(32)22(35)14-16-6-2-1-3-7-16)24(31)28-21(26(33)34)13-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,20-22,35H,13-15H2,(H,27,32)(H,28,31)(H,29,30)(H,33,34)