3-[3-[(4-aminocarbonylphenyl)carbonylamino]propanoylamino]-2-[(2-aminophenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[3-[(4-aminocarbonylphenyl)carbonylamino]propanoylamino]-2-[(2-aminophenyl)sulfonylamino]propanoic acid Openeye Name: 2-[(2-aminophenyl)sulfonylamino]-3-[3-[(4-carbamoylbenzoyl)amino]propanoylamino]propanoic acid CAS Name: 2-[(2-aminophenyl)sulfonylamino]-3-[[3-[[(4-carbamoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[(2-aminophenyl)sulfonylamino]-3-[3-[(4-carbamoylbenzoyl)amino]propanoylamino]propanoic acid Traditional Name: 2-[(2-aminophenyl)sulfonylamino]-3-[3-[(4-carbamoylbenzoyl)amino]propanoylamino]propionic acid Formula: C20H23N5O7S MolecularWeight: 477.49092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N)S(=O)(=O)NC(CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=O)N)C(=O)O

InChI

InChI=1S/C20H23N5O7S/c21-14-3-1-2-4-16(14)33(31,32)25-15(20(29)30)11-24-17(26)9-10-23-19(28)13-7-5-12(6-8-13)18(22)27/h1-8,15,25H,9-11,21H2,(H2,22,27)(H,23,28)(H,24,26)(H,29,30)