[3-[(4-carbamimidoylphenyl)methylcarbamoyl]-8-ethanoyl-5-oxidanylidene-2,3-dihydro-1H-indolizin-6-yl]carbamic acid

Systemtic Name: [3-[(4-carbamimidoylphenyl)methylcarbamoyl]-8-ethanoyl-5-oxidanylidene-2,3-dihydro-1H-indolizin-6-yl]carbamic acid Openeye Name: [8-acetyl-3-[(4-carbamimidoylphenyl)methylcarbamoyl]-5-oxo-2,3-dihydro-1H-indolizin-6-yl]carbamic acid CAS Name: [8-acetyl-3-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-5-oxo-2,3-dihydro-1H-indolizin-6-yl]carbamic acid IUPAC Name: [8-acetyl-3-[(4-carbamimidoylphenyl)methylcarbamoyl]-5-oxo-2,3-dihydro-1H-indolizin-6-yl]carbamic acid Traditional Name: [8-acetyl-3-[(4-amidinobenzyl)carbamoyl]-5-keto-2,3-dihydro-1H-indolizin-6-yl]carbamic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2CCC(N2C(=O)C(=C1)NC(=O)O)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)C1=C2CCC(N2C(=O)C(=C1)NC(=O)O)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O5/c1-10(26)13-8-14(24-20(29)30)19(28)25-15(13)6-7-16(25)18(27)23-9-11-2-4-12(5-3-11)17(21)22/h2-5,8,16,24H,6-7,9H2,1H3,(H3,21,22)(H,23,27)(H,29,30)