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139554-37-3

139554-37-3 | Glycinamide, L-histidyl-L-tyrosyl-L-isoleucyl-L-asparaginyl- (9CI)

CAS No: 139554-37-3 Catalog No: AG001B9G MDL No:

Product Description

Catalog Number:
AG001B9G
Chemical Name:
Glycinamide, L-histidyl-L-tyrosyl-L-isoleucyl-L-asparaginyl- (9CI)
CAS Number:
139554-37-3
Molecular Formula:
C27H39N9O7
Molecular Weight:
601.6547
IUPAC Name:
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-N-(2-amino-2-oxoethyl)butanediamide
InChI:
InChI=1S/C27H39N9O7/c1-3-14(2)23(27(43)35-20(10-21(29)38)25(41)32-12-22(30)39)36-26(42)19(8-15-4-6-17(37)7-5-15)34-24(40)18(28)9-16-11-31-13-33-16/h4-7,11,13-14,18-20,23,37H,3,8-10,12,28H2,1-2H3,(H2,29,38)(H2,30,39)(H,31,33)(H,32,41)(H,34,40)(H,35,43)(H,36,42)
InChI Key:
HLEHYZIVVGOISQ-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)N)CC(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]cn1)N)C

Properties

Complexity:
990  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
601.297g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
601.665g/mol
Monoisotopic Mass:
601.297g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
278A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  

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