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264147-37-7

264147-37-7 | L-Arginine, L-lysyl-L-valylglycyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-

CAS No: 264147-37-7 Catalog No: AG002T3T MDL No:

Product Description

Catalog Number:
AG002T3T
Chemical Name:
L-Arginine, L-lysyl-L-valylglycyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-
CAS Number:
264147-37-7
Molecular Formula:
C43H68N12O8
Molecular Weight:
881.0756
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C43H68N12O8/c1-27(2)36(55-37(57)30(46)18-9-11-21-44)41(61)50-26-35(56)51-33(24-28-14-5-3-6-15-28)39(59)54-34(25-29-16-7-4-8-17-29)40(60)52-31(19-10-12-22-45)38(58)53-32(42(62)63)20-13-23-49-43(47)48/h3-8,14-17,27,30-34,36H,9-13,18-26,44-46H2,1-2H3,(H,50,61)(H,51,56)(H,52,60)(H,53,58)(H,54,59)(H,55,57)(H,62,63)(H4,47,48,49)/t30-,31-,32-,33-,34-,36-/m0/s1
InChI Key:
SEJPHNJSBICUOU-PITCCTKHSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N

Properties

Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
880.528g/mol
Formal Charge:
0
Heavy Atom Count:
63  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
881.093g/mol
Monoisotopic Mass:
880.528g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
354A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  

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