2-[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]-N-(2-azanylethanoyl)-4-carbamimidoyl-N-cyclohexyl-3-ethanoyl-benzamide

Systemtic Name: 2-[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]-N-(2-azanylethanoyl)-4-carbamimidoyl-N-cyclohexyl-3-ethanoyl-benzamide Openeye Name: 3-acetyl-N-(2-aminoacetyl)-2-[2-amino-3-(4-carbamimidoylphenyl)propanoyl]-4-carbamimidoyl-N-cyclohexyl-benzamide CAS Name: 3-acetyl-2-[2-amino-3-(4-carbamimidoylphenyl)-1-oxopropyl]-N-(2-amino-1-oxoethyl)-4-carbamimidoyl-N-cyclohexylbenzamide IUPAC Name: 3-acetyl-N-(2-aminoacetyl)-2-[2-amino-3-(4-carbamimidoylphenyl)propanoyl]-4-carbamimidoyl-N-cyclohexylbenzamide Traditional Name: 3-acetyl-4-amidino-2-[3-(4-amidinophenyl)-2-amino-propanoyl]-N-cyclohexyl-N-glycyl-benzamide Formula: C28H35N7O4 MolecularWeight: 533.622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1C(=O)C(CC2=CC=C(C=C2)C(=N)N)N)C(=O)N(C3CCCCC3)C(=O)CN)C(=N)N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1C(=O)C(CC2=CC=C(C=C2)C(=N)N)N)C(=O)N(C3CCCCC3)C(=O)CN)C(=N)N

InChI

InChI=1S/C28H35N7O4/c1-15(36)23-19(27(33)34)11-12-20(28(39)35(22(37)14-29)18-5-3-2-4-6-18)24(23)25(38)21(30)13-16-7-9-17(10-8-16)26(31)32/h7-12,18,21H,2-6,13-14,29-30H2,1H3,(H3,31,32)(H3,33,34)