2-[4-[[(2R)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-phenyl-propyl]amino]phenyl]ethanoic acid dihydrochloride

Systemtic Name: 2-[4-[[(2R)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-phenyl-propyl]amino]phenyl]ethanoic acid dihydrochloride Openeye Name: 2-[4-[[(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-phenyl-propyl]amino]phenyl]acetic acid dihydrochloride CAS Name: 2-[4-[[(2R)-2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropyl]amino]phenyl]acetic acid dihydrochloride IUPAC Name: 2-[4-[[(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-phenylpropyl]amino]phenyl]acetic acid dihydrochloride Traditional Name: 2-[4-[[(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-phenyl-propyl]amino]phenyl]acetic acid dihydrochloride Formula: C25H35Cl2N3O3 MolecularWeight: 496.4697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)CNC3=CC=C(C=C3)CC(=O)O.Cl.Cl

Isomeric SMILES

C1CC(CCC1CN)C(=O)N[C@H](CC2=CC=CC=C2)CNC3=CC=C(C=C3)CC(=O)O.Cl.Cl

InChI

InChI=1S/C25H33N3O3.2ClH/c26-16-20-6-10-21(11-7-20)25(31)28-23(14-18-4-2-1-3-5-18)17-27-22-12-8-19(9-13-22)15-24(29)30;;/h1-5,8-9,12-13,20-21,23,27H,6-7,10-11,14-17,26H2,(H,28,31)(H,29,30);2*1H/t20?,21?,23-;;/m1../s1