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161012-17-5

161012-17-5 | L-Tyrosine, glycyl-L-prolylglycyl-L-arginyl-L-alanyl-L-phenylalanyl-

CAS No: 161012-17-5 Catalog No: AG001VL8 MDL No:

Product Description

Catalog Number:
AG001VL8
Chemical Name:
L-Tyrosine, glycyl-L-prolylglycyl-L-arginyl-L-alanyl-L-phenylalanyl-
CAS Number:
161012-17-5
Molecular Formula:
C36H50N10O9
Molecular Weight:
766.8438
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C36H50N10O9/c1-21(31(50)44-26(17-22-7-3-2-4-8-22)33(52)45-27(35(54)55)18-23-11-13-24(47)14-12-23)42-32(51)25(9-5-15-40-36(38)39)43-29(48)20-41-34(53)28-10-6-16-46(28)30(49)19-37/h2-4,7-8,11-14,21,25-28,47H,5-6,9-10,15-20,37H2,1H3,(H,41,53)(H,42,51)(H,43,48)(H,44,50)(H,45,52)(H,54,55)(H4,38,39,40)/t21-,25-,26-,27-,28-/m0/s1
InChI Key:
OLKDBZGHSBIVGB-OZDPOCAXSA-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)O)Cc1ccc(cc1)O)Cc1ccccc1)C)CCCNC(=N)N

Properties

Complexity:
1360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
766.376g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
766.857g/mol
Monoisotopic Mass:
766.376g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
314A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4  

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