2-[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]-carboxy-amino]-1-methyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: 2-[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]-carboxy-amino]-1-methyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: 2-[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]-carboxy-amino]-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: 2-[4-[carboxy-[1-methyl-4-(1-oxobutylamino)-2-pyrrolyl]amino]-1-methyl-2-pyrrolyl]-2-propenoic acid IUPAC Name: 2-[4-[[4-(butanoylamino)-1-methylpyrrol-2-yl]-carboxyamino]-1-methylpyrrol-2-yl]prop-2-enoic acid Traditional Name: 2-[4-[(4-butyramido-1-methyl-pyrrol-2-yl)-carboxy-amino]-1-methyl-pyrrol-2-yl]acrylic acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN(C(=C1)N(C2=CN(C(=C2)C(=C)C(=O)O)C)C(=O)O)C

Isomeric SMILES

CCCC(=O)NC1=CN(C(=C1)N(C2=CN(C(=C2)C(=C)C(=O)O)C)C(=O)O)C

InChI

InChI=1S/C18H22N4O5/c1-5-6-15(23)19-12-7-16(21(4)9-12)22(18(26)27)13-8-14(20(3)10-13)11(2)17(24)25/h7-10H,2,5-6H2,1,3-4H3,(H,19,23)(H,24,25)(H,26,27)