methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrol-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrol-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrole-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[5-(hydroxymethyl)-1H-pyrrol-2-yl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(hydroxymethyl)-1H-pyrrole-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-[(5-methylol-1H-pyrrole-2-carbonyl)amino]valeric acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC=C(N1)CO

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=CC=C(N1)CO

InChI

InChI=1S/C13H20N2O4/c1-8(2)6-11(13(18)19-3)15-12(17)10-5-4-9(7-16)14-10/h4-5,8,11,14,16H,6-7H2,1-3H3,(H,15,17)/t11-/m0/s1