2-[2-(1-adamantyl)ethanoylamino]-6-[2-(4-carbamimidoylphenyl)ethanoylamino]hexanoic acid

Systemtic Name: 2-[2-(1-adamantyl)ethanoylamino]-6-[2-(4-carbamimidoylphenyl)ethanoylamino]hexanoic acid Openeye Name: 2-[[2-(1-adamantyl)acetyl]amino]-6-[[2-(4-carbamimidoylphenyl)acetyl]amino]hexanoic acid CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-6-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(1-adamantyl)acetyl]amino]-6-[[2-(4-carbamimidoylphenyl)acetyl]amino]hexanoic acid Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-6-[[2-(4-amidinophenyl)acetyl]amino]hexanoic acid Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(CCCCNC(=O)CC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(CCCCNC(=O)CC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H38N4O4/c28-25(29)21-6-4-17(5-7-21)12-23(32)30-8-2-1-3-22(26(34)35)31-24(33)16-27-13-18-9-19(14-27)11-20(10-18)15-27/h4-7,18-20,22H,1-3,8-16H2,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)