3-(1-azanylcyclohex-3-en-1-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate

Systemtic Name: 3-(1-azanylcyclohex-3-en-1-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Openeye Name: 3-(1-aminocyclohex-3-en-1-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate CAS Name: 5-(4-carbamimidoylphenyl)pentanoic acid [3-(1-amino-1-cyclohex-3-enyl)-1-oxopropyl] ester IUPAC Name: 3-(1-aminocyclohex-3-en-1-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Traditional Name: 5-(4-amidinophenyl)valeric acid 3-(1-aminocyclohex-3-en-1-yl)propanoyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)(CCC(=O)OC(=O)CCCCC2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

C1CC(CC=C1)(CCC(=O)OC(=O)CCCCC2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C21H29N3O3/c22-20(23)17-10-8-16(9-11-17)6-2-3-7-18(25)27-19(26)12-15-21(24)13-4-1-5-14-21/h1,4,8-11H,2-3,5-7,12-15,24H2,(H3,22,23)