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921784-74-9

921784-74-9 | Glycine, L-valyl-L-tyrosylglycyl-L-alanyl-L-tryptophylglycyl-L-cysteinyl-

CAS No: 921784-74-9 Catalog No: AG006GK7 MDL No:

Product Description

Catalog Number:
AG006GK7
Chemical Name:
Glycine, L-valyl-L-tyrosylglycyl-L-alanyl-L-tryptophylglycyl-L-cysteinyl-
CAS Number:
921784-74-9
Molecular Formula:
C37H49N9O10S
Molecular Weight:
811.9043
IUPAC Name:
2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
InChI:
InChI=1S/C37H49N9O10S/c1-19(2)32(38)37(56)46-26(12-21-8-10-23(47)11-9-21)34(53)40-15-29(48)43-20(3)33(52)45-27(13-22-14-39-25-7-5-4-6-24(22)25)35(54)41-16-30(49)44-28(18-57)36(55)42-17-31(50)51/h4-11,14,19-20,26-28,32,39,47,57H,12-13,15-18,38H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,52)(H,46,56)(H,50,51)/t20-,26-,27-,28-,32-/m0/s1
InChI Key:
OOKDPGBIRZEGLB-BCDLMEOQSA-N
SMILES:
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)Cc1ccc(cc1)O)C

Properties

Complexity:
1430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
811.332g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
811.912g/mol
Monoisotopic Mass:
811.332g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  

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