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675105-90-5

675105-90-5 | L-Arginine, L-alanyl-L-prolyl-L-arginyl-L-glutaminyl-L-lysyl-

CAS No: 675105-90-5 Catalog No: AG006G3S MDL No:

Product Description

Catalog Number:
AG006G3S
Chemical Name:
L-Arginine, L-alanyl-L-prolyl-L-arginyl-L-glutaminyl-L-lysyl-
CAS Number:
675105-90-5
Molecular Formula:
C31H58N14O8
Molecular Weight:
754.8812
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C31H58N14O8/c1-17(33)28(51)45-16-6-10-22(45)27(50)43-19(8-4-14-39-30(35)36)24(47)42-20(11-12-23(34)46)26(49)41-18(7-2-3-13-32)25(48)44-21(29(52)53)9-5-15-40-31(37)38/h17-22H,2-16,32-33H2,1H3,(H2,34,46)(H,41,49)(H,42,47)(H,43,50)(H,44,48)(H,52,53)(H4,35,36,39)(H4,37,38,40)/t17-,18-,19-,20-,21-,22-/m0/s1
InChI Key:
DZKXEAMJJWDJOF-WLNPFYQQSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C)CCCNC(=N)N)CCC(=O)N

Properties

Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
754.456g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
754.895g/mol
Monoisotopic Mass:
754.456g/mol
Rotatable Bond Count:
25  
Topological Polar Surface Area:
398A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.2  

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