2-[4-[2-[2-(methoxycarbonylamino)ethanoylamino]ethanoylamino]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-[2-(methoxycarbonylamino)ethanoylamino]ethanoylamino]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[[2-[[2-(methoxycarbonylamino)-1-oxoethyl]amino]-1-oxoethyl]amino]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-[[2-[[2-(carbomethoxyamino)acetyl]amino]acetyl]amino]phenyl]-2-methyl-propionic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)OC)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)OC)C(=O)O

InChI

InChI=1S/C16H21N3O6/c1-16(2,14(22)23)10-4-6-11(7-5-10)19-13(21)9-17-12(20)8-18-15(24)25-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,24)(H,19,21)(H,22,23)