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177959-21-6

177959-21-6 | D-Phenylalanine, D-phenylalanyl-D-arginyl-D-leucyl-D-histidyl- (9CI)

CAS No: 177959-21-6 Catalog No: AG0025NG MDL No:

Product Description

Catalog Number:
AG0025NG
Chemical Name:
D-Phenylalanine, D-phenylalanyl-D-arginyl-D-leucyl-D-histidyl- (9CI)
CAS Number:
177959-21-6
Molecular Formula:
C36H50N10O6
Molecular Weight:
718.8456
IUPAC Name:
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C36H50N10O6/c1-22(2)16-28(44-32(48)27(14-9-15-41-36(38)39)43-31(47)26(37)17-23-10-5-3-6-11-23)33(49)45-29(19-25-20-40-21-42-25)34(50)46-30(35(51)52)18-24-12-7-4-8-13-24/h3-8,10-13,20-22,26-30H,9,14-19,37H2,1-2H3,(H,40,42)(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)(H4,38,39,41)/t26-,27-,28-,29-,30-/m1/s1
InChI Key:
ZGOLGQLIPBHBHR-XZTOTZIXSA-N
SMILES:
NC(=N)NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N

Properties

Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
718.391g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
718.86g/mol
Monoisotopic Mass:
718.391g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
273A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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