3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(6-piperidin-1-ylhexanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(6-piperidin-1-ylhexanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-1-[4-[6-(1-piperidyl)hexanoyl]piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-1-[oxo-[4-[1-oxo-6-(1-piperidinyl)hexyl]-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxo-1-[4-(6-piperidin-1-ylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(6-piperidinohexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C27H45N7O5 MolecularWeight: 547.6901

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCC(=O)N2CCN(CC2)C(=O)N3C(C(C3=O)CC4CCCN(C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCCCC(=O)N2CCN(CC2)C(=O)N3C(C(C3=O)CC4CCCN(C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H45N7O5/c28-26(29)33-13-7-8-20(19-33)18-21-23(25(37)38)34(24(21)36)27(39)32-16-14-31(15-17-32)22(35)9-3-1-4-10-30-11-5-2-6-12-30/h20-21,23H,1-19H2,(H3,28,29)(H,37,38)