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141045-86-5

141045-86-5 | L-Tyrosinamide, glycyl-L-prolylglycyl-L-arginyl-L-alanyl-L-phenylalanyl- (9CI)

CAS No: 141045-86-5 Catalog No: AG001FSA MDL No:

Product Description

Catalog Number:
AG001FSA
Chemical Name:
L-Tyrosinamide, glycyl-L-prolylglycyl-L-arginyl-L-alanyl-L-phenylalanyl- (9CI)
CAS Number:
141045-86-5
Molecular Formula:
C36H51N11O8
Molecular Weight:
765.8590
IUPAC Name:
1-(2-aminoacetyl)-N-[2-[[1-[[1-[[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C36H51N11O8/c1-21(32(52)46-27(18-22-7-3-2-4-8-22)34(54)45-26(31(38)51)17-23-11-13-24(48)14-12-23)43-33(53)25(9-5-15-41-36(39)40)44-29(49)20-42-35(55)28-10-6-16-47(28)30(50)19-37/h2-4,7-8,11-14,21,25-28,48H,5-6,9-10,15-20,37H2,1H3,(H2,38,51)(H,42,55)(H,43,53)(H,44,49)(H,45,54)(H,46,52)(H4,39,40,41)
InChI Key:
XRQLHPSXRHYANK-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)C)CCCNC(=N)N

Properties

Complexity:
1360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
765.392g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
765.873g/mol
Monoisotopic Mass:
765.392g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
320A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  

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