methyl (2S)-2-[2-(2-indazol-2-ylethanoylamino)ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(2-indazol-2-ylethanoylamino)ethanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(2-indazol-2-ylacetyl)amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(2-indazolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(2-indazol-2-ylacetyl)amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(2-indazol-2-ylacetyl)amino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CNC(=O)CN1C=C2C=CC=CC2=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)CN1C=C2C=CC=CC2=N1

InChI

InChI=1S/C17H22N4O4/c1-11(2)16(17(24)25-3)19-14(22)8-18-15(23)10-21-9-12-6-4-5-7-13(12)20-21/h4-7,9,11,16H,8,10H2,1-3H3,(H,18,23)(H,19,22)/t16-/m0/s1