2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(prop-2-enylcarbamoylamino)propanoic acid

Systemtic Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(prop-2-enylcarbamoylamino)propanoic acid Openeye Name: 3-(allylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo-(prop-2-enylamino)methyl]amino]propanoic acid IUPAC Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(prop-2-enylcarbamoylamino)propanoic acid Traditional Name: 3-(allylcarbamoylamino)-2-[[4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C22H24N4O6 MolecularWeight: 440.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6/c1-2-10-23-22(32)25-13-18(21(30)31)26-20(29)16-8-6-15(7-9-16)19(28)24-12-14-4-3-5-17(27)11-14/h2-9,11,18,27H,1,10,12-13H2,(H,24,28)(H,26,29)(H,30,31)(H2,23,25,32)