Home Carbonyls (R)-Methyl 2-(2-((tert-butoxycarbonyl)aMino)-2-MethylpropanaMido)-3-(1H-indol-3-yl)propanoate

(R)-Methyl 2-(2-((tert-butoxycarbonyl)aMino)-2-MethylpropanaMido)-3-(1H-indol-3-yl)propanoate

CAS No.:
210481-85-9
Catalog Number:
AG00BF67
Molecular Formula:
C20H27N3O5
Molecular Weight:
389.4455
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Product Description
Catalog Number:
AG00BF67
Chemical Name:
(R)-Methyl 2-(2-((tert-butoxycarbonyl)aMino)-2-MethylpropanaMido)-3-(1H-indol-3-yl)propanoate
CAS Number:
210481-85-9
Molecular Formula:
C20H27N3O5
Molecular Weight:
389.4455
MDL Number:
MFCD29472581
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H27N3O5/c1-19(2,3)28-18(27)23-20(4,5)17(26)22-15(16(24)25)10-12-11-21-14-9-7-6-8-13(12)14/h6-9,11,15,21H,10H2,1-5H3,(H,22,26)(H,23,27)(H,24,25)/t15-/m0/s1
InChI Key:
DSCBSBPYDCIRPP-HNNXBMFYSA-N
SMILES:
O=C(NC(C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)(C)C)OC(C)(C)C
Properties
Complexity:
599  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
389.195g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
389.452g/mol
Monoisotopic Mass:
389.195g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties