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189828-76-0

189828-76-0 | L-Alaninamide, glycyl-L-alanyl-L-prolyl-L-seryl-N-(4-nitrophenyl)- (9CI)

CAS No: 189828-76-0 Catalog No: AG002E0W MDL No:

Product Description

Catalog Number:
AG002E0W
Chemical Name:
L-Alaninamide, glycyl-L-alanyl-L-prolyl-L-seryl-N-(4-nitrophenyl)- (9CI)
CAS Number:
189828-76-0
Molecular Formula:
C22H31N7O8
Molecular Weight:
521.5236
IUPAC Name:
(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-[(2S)-3-hydroxy-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C22H31N7O8/c1-12(19(32)26-14-5-7-15(8-6-14)29(36)37)25-20(33)16(11-30)27-21(34)17-4-3-9-28(17)22(35)13(2)24-18(31)10-23/h5-8,12-13,16-17,30H,3-4,9-11,23H2,1-2H3,(H,24,31)(H,25,33)(H,26,32)(H,27,34)/t12-,13-,16-,17-/m0/s1
InChI Key:
XMJQBVSFCUIKEU-PYTWLRIVSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)C

Properties

Complexity:
872  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
521.223g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
521.531g/mol
Monoisotopic Mass:
521.223g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  

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