3-acetamido-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-acetamido-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-acetamido-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-acetamido-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-acetamido-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-acetamido-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Cl

Isomeric SMILES

CC(=O)NCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Cl

InChI

InChI=1S/C20H20ClN3O6/c1-11(25)22-10-17(20(29)30)24-19(28)15-6-5-13(8-16(15)21)18(27)23-9-12-3-2-4-14(26)7-12/h2-8,17,26H,9-10H2,1H3,(H,22,25)(H,23,27)(H,24,28)(H,29,30)