O1-ethyl O5-(phenylmethyl) 2-azanyl-4-[4-(4-carbamimidoylphenyl)butylcarbamoyl]pentanedioate

Systemtic Name: O1-ethyl O5-(phenylmethyl) 2-azanyl-4-[4-(4-carbamimidoylphenyl)butylcarbamoyl]pentanedioate Openeye Name: O1-benzyl O5-ethyl 4-amino-2-[4-(4-carbamimidoylphenyl)butylcarbamoyl]pentanedioate CAS Name: 2-amino-4-[[4-(4-carbamimidoylphenyl)butylamino]-oxomethyl]pentanedioic acid O1-ethyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-ethyl 2-amino-4-[4-(4-carbamimidoylphenyl)butylcarbamoyl]pentanedioate Traditional Name: 2-[4-(4-amidinophenyl)butylcarbamoyl]-4-amino-glutaric acid O1-benzyl ester O5-ethyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C(=O)NCCCCC1=CC=C(C=C1)C(=N)N)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C(CC(C(=O)NCCCCC1=CC=C(C=C1)C(=N)N)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C26H34N4O5/c1-2-34-26(33)22(27)16-21(25(32)35-17-19-9-4-3-5-10-19)24(31)30-15-7-6-8-18-11-13-20(14-12-18)23(28)29/h3-5,9-14,21-22H,2,6-8,15-17,27H2,1H3,(H3,28,29)(H,30,31)