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(2R)-2-({[(2-{[1,1'-biphenyl]-4-yl}propan-2-yl)oxy]carbonyl}amino)-3-(tert-butoxy)butanoic acid; cyclohexylamine

(2R)-2-({[(2-{[1,1'-biphenyl]-4-yl}propan-2-yl)oxy]carbonyl}amino)-3-(tert-butoxy)butanoic acid; cyclohexylamine

CAS: 23631-92-7

Formula: C30H44N2O5

SMILES: NC1CCCCC1.CC(OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O

IUPAC: (2R)-2-({[(2-{[1,1'-biphenyl]-4-yl}propan-2-yl)oxy]carbonyl}amino)-3-(tert-butoxy)butanoic acid; cyclohexanamine

InChI: InChI=1S/C24H31NO5.C6H13N/c1-16(29-23(2,3)4)20(21(26)27)25-22(28)30-24(5,6)19-14-12-18(13-15-19)17-10-8-7-9-11-17;7-6-4-2-1-3-5-6/h7-16,20H,1-6H3,(H,25,28)(H,26,27);6H,1-5,7H2/t16?,20-;/m1./s1

Composition: C (70.28%), H (8.65%), N (5.46%), O (15.60%)

Molar Mass: 512.691

Atom Count: 81

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 512.325022525
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WIWBWZUEMWIOOL-ALAWQYECSA-N
Lipinski's Rule of Five
Molar Refractivity 114.89
Topological Polar Surface Area 84.86
Polarizability 46.47
Ring Count 3
Rotatable Bond Count 9

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