3-[2-(1-carbamimidoylpiperidin-3-yl)ethyl]-4-oxidanylidene-1-[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[2-(1-carbamimidoylpiperidin-3-yl)ethyl]-4-oxidanylidene-1-[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[2-(1-carbamimidoyl-3-piperidyl)ethyl]-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[2-(1-carbamimidoyl-3-piperidinyl)ethyl]-4-oxo-1-[oxo-[4-(1-oxo-6-phenylhexyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[2-(1-carbamimidoylpiperidin-3-yl)ethyl]-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[2-(1-amidino-3-piperidyl)ethyl]-4-keto-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C29H42N6O5 MolecularWeight: 554.68098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CCC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)CCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CCC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)CCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H42N6O5/c30-28(31)34-15-7-11-22(20-34)13-14-23-25(27(38)39)35(26(23)37)29(40)33-18-16-32(17-19-33)24(36)12-6-2-5-10-21-8-3-1-4-9-21/h1,3-4,8-9,22-23,25H,2,5-7,10-20H2,(H3,30,31)(H,38,39)