(phenylmethyl) 6-azanyl-2-[(3-carbamimidoylphenyl)carbamoyl]hexanoate

Systemtic Name: (phenylmethyl) 6-azanyl-2-[(3-carbamimidoylphenyl)carbamoyl]hexanoate Openeye Name: benzyl 6-amino-2-[(3-carbamimidoylphenyl)carbamoyl]hexanoate CAS Name: 6-amino-2-[(3-carbamimidoylanilino)-oxomethyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-2-[(3-carbamimidoylphenyl)carbamoyl]hexanoate Traditional Name: 2-[(3-amidinophenyl)carbamoyl]-6-amino-hexanoic acid benzyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCN)C(=O)NC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCCN)C(=O)NC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H26N4O3/c22-12-5-4-11-18(21(27)28-14-15-7-2-1-3-8-15)20(26)25-17-10-6-9-16(13-17)19(23)24/h1-3,6-10,13,18H,4-5,11-12,14,22H2,(H3,23,24)(H,25,26)