(2S)-3-[2-(carboxymethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propanoate

Systemtic Name: (2S)-3-[2-(carboxymethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propanoate Openeye Name: (2S)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propanoate CAS Name: (2S)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propanoate IUPAC Name: (2S)-3-[2-(carboxymethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propanoate Traditional Name: (2S)-3-[2-(carboxymethyl)-3-keto-4H-1,4-benzoxazin-6-yl]-2-(cyclohexylsulfonylamino)propionate Formula: C19H23N2O8S- MolecularWeight: 439.45952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)N[C@@H](CC2=CC3=C(C=C2)OC(C(=O)N3)CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C19H24N2O8S/c22-17(23)10-16-18(24)20-13-8-11(6-7-15(13)29-16)9-14(19(25)26)21-30(27,28)12-4-2-1-3-5-12/h6-8,12,14,16,21H,1-5,9-10H2,(H,20,24)(H,22,23)(H,25,26)/p-1/t14-,16?/m0/s1