2-[[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]carbonylamino]-3-oxidanyl-propanoic acid hydrochloride

Systemtic Name: 2-[[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]carbonylamino]-3-oxidanyl-propanoic acid hydrochloride Openeye Name: 3-hydroxy-2-[[4-[(1S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]cyclohexyl]benzoyl]amino]propanoic acid hydrochloride CAS Name: 3-hydroxy-2-[[[4-[(1S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]cyclohexyl]phenyl]-oxomethyl]amino]propanoic acid hydrochloride IUPAC Name: 3-hydroxy-2-[[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzoyl]amino]propanoic acid hydrochloride Traditional Name: 3-hydroxy-2-[[4-[(1S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]cyclohexyl]benzoyl]amino]propionic acid hydrochloride Formula: C28H33ClN2O4 MolecularWeight: 497.02562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC3CCCC(C3)C4=CC=C(C=C4)C(=O)NC(CO)C(=O)O.Cl

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC3CCC[C@@H](C3)C4=CC=C(C=C4)C(=O)NC(CO)C(=O)O.Cl

InChI

InChI=1S/C28H32N2O4.ClH/c1-18(24-11-5-7-20-6-2-3-10-25(20)24)29-23-9-4-8-22(16-23)19-12-14-21(15-13-19)27(32)30-26(17-31)28(33)34;/h2-3,5-7,10-15,18,22-23,26,29,31H,4,8-9,16-17H2,1H3,(H,30,32)(H,33,34);1H/t18-,22+,23?,26?;/m1./s1