2-(1,4-diazepin-1-ylcarbamoyl)-5-methyl-2-propyl-hexanoic acid

Systemtic Name: 2-(1,4-diazepin-1-ylcarbamoyl)-5-methyl-2-propyl-hexanoic acid Openeye Name: 2-(1,4-diazepin-1-ylcarbamoyl)-5-methyl-2-propyl-hexanoic acid CAS Name: 2-[(1,4-diazepin-1-ylamino)-oxomethyl]-5-methyl-2-propylhexanoic acid IUPAC Name: 2-(1,4-diazepin-1-ylcarbamoyl)-5-methyl-2-propylhexanoic acid Traditional Name: 2-(1,4-diazepin-1-ylcarbamoyl)-5-methyl-2-propyl-hexanoic acid Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C)C)(C(=O)NN1C=CC=NC=C1)C(=O)O

Isomeric SMILES

CCCC(CCC(C)C)(C(=O)NN1C=CC=NC=C1)C(=O)O

InChI

InChI=1S/C16H25N3O3/c1-4-7-16(15(21)22,8-6-13(2)3)14(20)18-19-11-5-9-17-10-12-19/h5,9-13H,4,6-8H2,1-3H3,(H,18,20)(H,21,22)