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84953-78-6

84953-78-6 | L-Arginine, L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-

CAS No: 84953-78-6 Catalog No: AG004R84 MDL No:

Product Description

Catalog Number:
AG004R84
Chemical Name:
L-Arginine, L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-
CAS Number:
84953-78-6
Molecular Formula:
C23H40N10O8S
Molecular Weight:
616.6909
IUPAC Name:
(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C23H40N10O8S/c24-11(5-6-16(25)34)18(36)31-13(9-17(26)35)19(37)32-14(10-42)21(39)33-8-2-4-15(33)20(38)30-12(22(40)41)3-1-7-29-23(27)28/h11-15,42H,1-10,24H2,(H2,25,34)(H2,26,35)(H,30,38)(H,31,36)(H,32,37)(H,40,41)(H4,27,28,29)/t11-,12-,13-,14-,15-/m0/s1
InChI Key:
RJJWWVHSBBWBJB-YTFOTSKYSA-N
SMILES:
SC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CC(=O)N

Properties

Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
616.275g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
616.695g/mol
Monoisotopic Mass:
616.275g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
323A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.2  

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