2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1,4-diazepane-1-carboxylic acid Openeye Name: 2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1,4-diazepane-1-carboxylic acid CAS Name: 2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1,4-diazepane-1-carboxylic acid Traditional Name: 2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1,4-diazepane-1-carboxylic acid Formula: C15H28N4O3 MolecularWeight: 312.40782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(C1)C(=O)O)C(=O)NCC2CCC(CC2)CN

Isomeric SMILES

C1CNCC(N(C1)C(=O)O)C(=O)NCC2CCC(CC2)CN

InChI

InChI=1S/C15H28N4O3/c16-8-11-2-4-12(5-3-11)9-18-14(20)13-10-17-6-1-7-19(13)15(21)22/h11-13,17H,1-10,16H2,(H,18,20)(H,21,22)