2-[[(2S)-2-(ethoxycarbonylamino)-3-(4-sulfamoylphenyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-(ethoxycarbonylamino)-3-(4-sulfamoylphenyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(ethoxycarbonylamino)-3-(4-sulfamoylphenyl)propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(ethoxycarbonylamino)-1-oxo-3-(4-sulfamoylphenyl)propyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-(ethoxycarbonylamino)-3-(4-sulfamoylphenyl)propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(carbethoxyamino)-3-(4-sulfamoylphenyl)propanoyl]amino]acetic acid Formula: C14H19N3O7S MolecularWeight: 373.38156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=C(C=C1)S(=O)(=O)N)C(=O)NCC(=O)O

Isomeric SMILES

CCOC(=O)N[C@@H](CC1=CC=C(C=C1)S(=O)(=O)N)C(=O)NCC(=O)O

InChI

InChI=1S/C14H19N3O7S/c1-2-24-14(21)17-11(13(20)16-8-12(18)19)7-9-3-5-10(6-4-9)25(15,22)23/h3-6,11H,2,7-8H2,1H3,(H,16,20)(H,17,21)(H,18,19)(H2,15,22,23)/t11-/m0/s1