2-azanylpropanoyl 1-azanyl-2-(2-azanylpropanoyl)-2-ethyl-cyclohexane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-azanylpropanoyl 1-azanyl-2-(2-azanylpropanoyl)-2-ethyl-cyclohexane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-aminopropanoyl 1-amino-2-(2-aminopropanoyl)-2-ethyl-cyclohexanecarboxylate citrate CAS Name: 1-amino-2-(2-amino-1-oxopropyl)-2-ethyl-1-cyclohexanecarboxylic acid (2-amino-1-oxopropyl) ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-aminopropanoyl 1-amino-2-(2-aminopropanoyl)-2-ethylcyclohexane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-alanyl-1-amino-2-ethyl-cyclohexanecarboxylic acid alanyl ester citrate Formula: C21H32N3O11-3 MolecularWeight: 502.49228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1(C(=O)OC(=O)C(C)N)N)C(=O)C(C)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC1(CCCCC1(C(=O)OC(=O)C(C)N)N)C(=O)C(C)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H27N3O4.C6H8O7/c1-4-14(11(19)9(2)16)7-5-6-8-15(14,18)13(21)22-12(20)10(3)17;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10H,4-8,16-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3