2-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decan-2-yl]ethanoic acid

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decan-2-yl]ethanoic acid Openeye Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-oxa-2-azaspiro[4.5]decan-2-yl]acetic acid CAS Name: 2-[8-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-4-oxa-2-azaspiro[4.5]decan-2-yl]acetic acid IUPAC Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-oxa-2-azaspiro[4.5]decan-2-yl]acetic acid Traditional Name: 2-[8-[(4-amidinobenzoyl)amino]-3-keto-4-oxa-2-azaspiro[4.5]decan-2-yl]acetic acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1NC(=O)C3=CC=C(C=C3)C(=N)N)CN(C(=O)O2)CC(=O)O

Isomeric SMILES

C1CC2(CCC1NC(=O)C3=CC=C(C=C3)C(=N)N)CN(C(=O)O2)CC(=O)O

InChI

InChI=1S/C18H22N4O5/c19-15(20)11-1-3-12(4-2-11)16(25)21-13-5-7-18(8-6-13)10-22(9-14(23)24)17(26)27-18/h1-4,13H,5-10H2,(H3,19,20)(H,21,25)(H,23,24)