3-[9-(4-carbamimidoylphenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[9-(4-carbamimidoylphenyl)carbonyl-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[9-(4-carbamimidoylbenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxo-propanoic acid CAS Name: 3-[9-[(4-carbamimidoylphenyl)-oxomethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxopropanoic acid IUPAC Name: 3-[9-(4-carbamimidoylbenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxopropanoic acid Traditional Name: 3-[9-(4-amidinobenzoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3-keto-propionic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)C(=O)CC(=O)O

Isomeric SMILES

C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)C(=O)CC(=O)O

InChI

InChI=1S/C20H26N4O4/c21-18(22)14-1-3-15(4-2-14)19(28)24-11-7-20(8-12-24)5-9-23(10-6-20)16(25)13-17(26)27/h1-4H,5-13H2,(H3,21,22)(H,26,27)