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

Systemtic Name: 3-(ethoxycarbonylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-(ethoxycarbonylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[(ethoxycarbonylamino)-oxomethyl]amino]-2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(ethoxycarbonylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-(carbethoxycarbamoylamino)-2-[[4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C22H24N4O8 MolecularWeight: 472.44796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O8/c1-2-34-22(33)26-21(32)24-12-17(20(30)31)25-19(29)15-8-6-14(7-9-15)18(28)23-11-13-4-3-5-16(27)10-13/h3-10,17,27H,2,11-12H2,1H3,(H,23,28)(H,25,29)(H,30,31)(H2,24,26,32,33)