(2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C13H25N3O4 MolecularWeight: 287.3553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC(=O)NCCN(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CCC(=O)NCCN(C)C

InChI

InChI=1S/C13H25N3O4/c1-9(2)12(13(19)20)15-11(18)6-5-10(17)14-7-8-16(3)4/h9,12H,5-8H2,1-4H3,(H,14,17)(H,15,18)(H,19,20)/t12-/m0/s1