4-(4-azanylcyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoic acid

Systemtic Name: 4-(4-azanylcyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoic acid Openeye Name: 4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoic acid CAS Name: 4-(4-amino-1-cyclohexa-2,5-dienyl)-2-[[3-methyl-2-(methylamino)-1-oxobutyl]amino]butanoic acid IUPAC Name: 4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoic acid Traditional Name: 4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)butanoyl]amino]butyric acid Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)O)NC

Isomeric SMILES

CC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)O)NC

InChI

InChI=1S/C16H27N3O3/c1-10(2)14(18-3)15(20)19-13(16(21)22)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,10-14,18H,6,9,17H2,1-3H3,(H,19,20)(H,21,22)