3-[2-[(3-aminophenyl)carbonylamino]ethanoylamino]-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-[2-[(3-aminophenyl)carbonylamino]ethanoylamino]-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoic acid Openeye Name: 3-[[2-[(3-aminobenzoyl)amino]acetyl]amino]-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propanoic acid CAS Name: 3-[[2-[[(3-aminophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid IUPAC Name: 3-[[2-[(3-aminobenzoyl)amino]acetyl]amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid Traditional Name: 3-[[2-[(3-aminobenzoyl)amino]acetyl]amino]-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propionic acid Formula: C18H17BrClN3O5 MolecularWeight: 470.70168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NCC(=O)NC(CC(=O)O)C2=CC(=CC(=C2O)Br)Cl

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NCC(=O)NC(CC(=O)O)C2=CC(=CC(=C2O)Br)Cl

InChI

InChI=1S/C18H17BrClN3O5/c19-13-6-10(20)5-12(17(13)27)14(7-16(25)26)23-15(24)8-22-18(28)9-2-1-3-11(21)4-9/h1-6,14,27H,7-8,21H2,(H,22,28)(H,23,24)(H,25,26)