2-[2-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[(1-cyano-2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[(1-cyano-2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#N)OC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(CC#N)OC(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C19H22N4O5/c1-19(2,7-8-20)28-18(27)22-11-16(24)23-15(17(25)26)9-12-10-21-14-6-4-3-5-13(12)14/h3-6,10,15,21H,7,9,11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)