3-[(2-azanyl-2-methyl-propanoyl)amino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[(2-azanyl-2-methyl-propanoyl)amino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[(2-amino-2-methyl-propanoyl)amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[(2-amino-2-methyl-1-oxopropyl)amino]-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-amino-2-methylpropanoyl)amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[(2-amino-2-methyl-propanoyl)amino]-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C22H25ClN4O6 MolecularWeight: 476.9101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O6/c1-22(2,24)21(33)26-11-17(20(31)32)27-19(30)15-7-6-13(9-16(15)23)18(29)25-10-12-4-3-5-14(28)8-12/h3-9,17,28H,10-11,24H2,1-2H3,(H,25,29)(H,26,33)(H,27,30)(H,31,32)