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797031-99-3

797031-99-3 | L-Histidine, L-arginyl-L-threonyl-L-arginyl-L-seryl-L-leucyl-L-phenylalanyl-

CAS No: 797031-99-3 Catalog No: AG005IMA MDL No:

Product Description

Catalog Number:
AG005IMA
Chemical Name:
L-Histidine, L-arginyl-L-threonyl-L-arginyl-L-seryl-L-leucyl-L-phenylalanyl-
CAS Number:
797031-99-3
Molecular Formula:
C40H65N15O10
Molecular Weight:
916.0386
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C40H65N15O10/c1-21(2)15-27(34(60)52-28(16-23-9-5-4-6-10-23)35(61)53-29(38(64)65)17-24-18-46-20-49-24)51-36(62)30(19-56)54-33(59)26(12-8-14-48-40(44)45)50-37(63)31(22(3)57)55-32(58)25(41)11-7-13-47-39(42)43/h4-6,9-10,18,20-22,25-31,56-57H,7-8,11-17,19,41H2,1-3H3,(H,46,49)(H,50,63)(H,51,62)(H,52,60)(H,53,61)(H,54,59)(H,55,58)(H,64,65)(H4,42,43,47)(H4,44,45,48)/t22-,25+,26+,27+,28+,29+,30+,31+/m1/s1
InChI Key:
HXLUOKGIIFXFNV-SDRSKFNSSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1nc[nH]c1)Cc1ccccc1)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N

Properties

Complexity:
1620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
915.504g/mol
Formal Charge:
0
Heavy Atom Count:
65  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
916.055g/mol
Monoisotopic Mass:
915.504g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
436A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9  

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