3-[1-[5-(2-acetamidoethanoylamino)-6-methoxy-6-oxidanylidene-hexyl]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[5-(2-acetamidoethanoylamino)-6-methoxy-6-oxidanylidene-hexyl]pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[5-[(2-acetamidoacetyl)amino]-6-methoxy-6-oxo-hexyl]pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[5-[(2-acetamido-1-oxoethyl)amino]-6-methoxy-6-oxohexyl]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[5-[(2-acetamidoacetyl)amino]-6-methoxy-6-oxohexyl]pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[5-[(2-acetamidoacetyl)amino]-6-keto-6-methoxy-hexyl]pyrrol-2-yl]propionic acid Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CCCCN1C=CC=C1CCC(=O)O)C(=O)OC

Isomeric SMILES

CC(=O)NCC(=O)NC(CCCCN1C=CC=C1CCC(=O)O)C(=O)OC

InChI

InChI=1S/C18H27N3O6/c1-13(22)19-12-16(23)20-15(18(26)27-2)7-3-4-10-21-11-5-6-14(21)8-9-17(24)25/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)