(2-azanyl-3-phenyl-propanoyl) 1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-2-ethyl-cyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (2-azanyl-3-phenyl-propanoyl) 1-azanyl-2-(2-azanyl-3-phenyl-propanoyl)-2-ethyl-cyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (2-amino-3-phenyl-propanoyl) 1-amino-2-(2-amino-3-phenyl-propanoyl)-2-ethyl-cyclopentanecarboxylate citrate CAS Name: 1-amino-2-(2-amino-1-oxo-3-phenylpropyl)-2-ethyl-1-cyclopentanecarboxylic acid (2-amino-1-oxo-3-phenylpropyl) ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: (2-amino-3-phenylpropanoyl) 1-amino-2-(2-amino-3-phenylpropanoyl)-2-ethylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-amino-2-ethyl-2-phenylalanyl-cyclopentanecarboxylic acid phenylalanyl ester citrate Formula: C32H38N3O11-3 MolecularWeight: 640.65762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1(C(=O)OC(=O)C(CC2=CC=CC=C2)N)N)C(=O)C(CC3=CC=CC=C3)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC1(CCCC1(C(=O)OC(=O)C(CC2=CC=CC=C2)N)N)C(=O)C(CC3=CC=CC=C3)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C26H33N3O4.C6H8O7/c1-2-25(22(30)20(27)16-18-10-5-3-6-11-18)14-9-15-26(25,29)24(32)33-23(31)21(28)17-19-12-7-4-8-13-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,10-13,20-21H,2,9,14-17,27-29H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3