(2S)-2-[2-(5-ethanoyl-1-methyl-pyrrol-2-yl)ethanoylamino]-3-methoxy-propanoic acid

Systemtic Name: (2S)-2-[2-(5-ethanoyl-1-methyl-pyrrol-2-yl)ethanoylamino]-3-methoxy-propanoic acid Openeye Name: (2S)-2-[[2-(5-acetyl-1-methyl-pyrrol-2-yl)acetyl]amino]-3-methoxy-propanoic acid CAS Name: (2S)-2-[[2-(5-acetyl-1-methyl-2-pyrrolyl)-1-oxoethyl]amino]-3-methoxypropanoic acid IUPAC Name: (2S)-2-[[2-(5-acetyl-1-methylpyrrol-2-yl)acetyl]amino]-3-methoxypropanoic acid Traditional Name: (2S)-2-[[2-(5-acetyl-1-methyl-pyrrol-2-yl)acetyl]amino]-3-methoxy-propionic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(N1C)CC(=O)NC(COC)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(N1C)CC(=O)N[C@@H](COC)C(=O)O

InChI

InChI=1S/C13H18N2O5/c1-8(16)11-5-4-9(15(11)2)6-12(17)14-10(7-20-3)13(18)19/h4-5,10H,6-7H2,1-3H3,(H,14,17)(H,18,19)/t10-/m0/s1