methyl 3-(1H-indol-3-yl)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoate Openeye Name: methyl 2-[5-(tert-butoxycarbonylamino)pentanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoate Traditional Name: 2-[5-(tert-butoxycarbonylamino)pentanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(28)23-12-8-7-11-19(26)25-18(20(27)29-4)13-15-14-24-17-10-6-5-9-16(15)17/h5-6,9-10,14,18,24H,7-8,11-13H2,1-4H3,(H,23,28)(H,25,26)