(3S)-3-azanyl-4-[[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]amino]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]amino]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-anilino]-3-methyl-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]anilino]-3-methyl-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylanilino]-3-methyl-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[4-[(3-benzoxyphenyl)thio]-2-chloro-anilino]-4-keto-3-methyl-butyric acid Formula: C24H23ClN2O4S MolecularWeight: 470.96842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C(=O)NC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N

Isomeric SMILES

C[C@](CC(=O)O)(C(=O)NC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C24H23ClN2O4S/c1-24(26,14-22(28)29)23(30)27-21-11-10-19(13-20(21)25)32-18-9-5-8-17(12-18)31-15-16-6-3-2-4-7-16/h2-13H,14-15,26H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1