5-[[4-azanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 5-[[4-azanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-1-methyl-indole-2-carboxylic acid Openeye Name: 5-[(4-amino-1-tert-butoxycarbonyl-piperidine-4-carbonyl)amino]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[[[4-amino-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid Traditional Name: 5-[(4-amino-1-tert-butoxycarbonyl-isonipecotoyl)amino]-1-methyl-indole-2-carboxylic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)O)C)N

InChI

InChI=1S/C21H28N4O5/c1-20(2,3)30-19(29)25-9-7-21(22,8-10-25)18(28)23-14-5-6-15-13(11-14)12-16(17(26)27)24(15)4/h5-6,11-12H,7-10,22H2,1-4H3,(H,23,28)(H,26,27)