2-azanylbutanedioic acid; 2-azanylpropanoic acid; 3-methyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-azanylpropanoic acid; 3-methyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoic acid Openeye Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid CAS Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-2-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]butanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-aminopropanoic acid; 3-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid Traditional Name: 2-aminopropionic acid; 2-aminosuccinic acid; 3-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butyric acid Formula: C23H37N5O9 MolecularWeight: 527.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC=C2.CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC=C2.CC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C16H23N3O3.C4H7NO4.C3H7NO2/c1-12(2)14(15(20)21)17-16(22)19-10-8-18(9-11-19)13-6-4-3-5-7-13;5-2(4(8)9)1-3(6)7;1-2(4)3(5)6/h3-7,12,14H,8-11H2,1-2H3,(H,17,22)(H,20,21);2H,1,5H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)