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797753-47-0

797753-47-0 | L-Valine, L-seryl-L-leucyl-L-alanyl-L-seryl-L-leucyl-L-histidyl-L-prolyl-L-seryl-

CAS No: 797753-47-0 Catalog No: AG005HDV MDL No:

Product Description

Catalog Number:
AG005HDV
Chemical Name:
L-Valine, L-seryl-L-leucyl-L-alanyl-L-seryl-L-leucyl-L-histidyl-L-prolyl-L-seryl-
CAS Number:
797753-47-0
Molecular Formula:
C40H67N11O13
Molecular Weight:
910.0259
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C40H67N11O13/c1-19(2)11-25(45-33(56)24(41)15-52)34(57)44-22(7)32(55)48-28(16-53)36(59)46-26(12-20(3)4)35(58)47-27(13-23-14-42-18-43-23)39(62)51-10-8-9-30(51)38(61)49-29(17-54)37(60)50-31(21(5)6)40(63)64/h14,18-22,24-31,52-54H,8-13,15-17,41H2,1-7H3,(H,42,43)(H,44,57)(H,45,56)(H,46,59)(H,47,58)(H,48,55)(H,49,61)(H,50,60)(H,63,64)/t22-,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1
InChI Key:
FYAVHELHHMFRGS-YUSDYXKUSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CO)Cc1c[nH]cn1)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)C

Properties

Complexity:
1630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
909.492g/mol
Formal Charge:
0
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
910.04g/mol
Monoisotopic Mass:
909.492g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
377A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5  

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