ethyl (2S,3S)-3-oxidanyl-2-[[4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S,3S)-3-oxidanyl-2-[[4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S,3S)-2-[[1,4-dioxo-4-(4-sulfamoylanilino)butyl]amino]-3-hydroxy-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[4-keto-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H25N3O7S/c1-2-31-21(28)19(20(27)14-6-4-3-5-7-14)24-18(26)13-12-17(25)23-15-8-10-16(11-9-15)32(22,29)30/h3-11,19-20,27H,2,12-13H2,1H3,(H,23,25)(H,24,26)(H2,22,29,30)/t19-,20-/m0/s1