2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(propan-2-ylcarbamoylamino)propanoic acid

Systemtic Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(propan-2-ylcarbamoylamino)propanoic acid Openeye Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(isopropylcarbamoylamino)propanoic acid CAS Name: 2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo-(propan-2-ylamino)methyl]amino]propanoic acid IUPAC Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(propan-2-ylcarbamoylamino)propanoic acid Traditional Name: 2-[[4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-(isopropylcarbamoylamino)propionic acid Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-13(2)25-22(32)24-12-18(21(30)31)26-20(29)16-8-6-15(7-9-16)19(28)23-11-14-4-3-5-17(27)10-14/h3-10,13,18,27H,11-12H2,1-2H3,(H,23,28)(H,26,29)(H,30,31)(H2,24,25,32)