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

Systemtic Name: 4-(4-azanylcyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid Openeye Name: 4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid CAS Name: 4-(4-amino-1-cyclohexa-2,5-dienyl)-2-[[3-methyl-2-(methylamino)-1-oxopentyl]amino]butanoic acid IUPAC Name: 4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid Traditional Name: 4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butyric acid Formula: C17H29N3O3 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O3/c1-4-11(2)15(19-3)16(21)20-14(17(22)23)10-7-12-5-8-13(18)9-6-12/h5-6,8-9,11-15,19H,4,7,10,18H2,1-3H3,(H,20,21)(H,22,23)