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883969-77-5

883969-77-5 | L-Serine, glycyl-L-arginyl-L-seryl-L-valyl-L-seryl-L-arginyl-

CAS No: 883969-77-5 Catalog No: AG004IB4 MDL No:

Product Description

Catalog Number:
AG004IB4
Chemical Name:
L-Serine, glycyl-L-arginyl-L-seryl-L-valyl-L-seryl-L-arginyl-
CAS Number:
883969-77-5
Molecular Formula:
C28H53N13O11
Molecular Weight:
747.8009
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C28H53N13O11/c1-13(2)20(41-24(49)17(11-43)38-21(46)14(36-19(45)9-29)5-3-7-34-27(30)31)25(50)39-16(10-42)23(48)37-15(6-4-8-35-28(32)33)22(47)40-18(12-44)26(51)52/h13-18,20,42-44H,3-12,29H2,1-2H3,(H,36,45)(H,37,48)(H,38,46)(H,39,50)(H,40,47)(H,41,49)(H,51,52)(H4,30,31,34)(H4,32,33,35)/t14-,15-,16-,17-,18-,20-/m0/s1
InChI Key:
JXXQGVDBPFYHKU-CPVUPJMFSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCNC(=N)N)CO)C(C)C)CO)CCCNC(=N)N

Properties

Complexity:
1270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
747.399g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
747.812g/mol
Monoisotopic Mass:
747.399g/mol
Rotatable Bond Count:
25  
Topological Polar Surface Area:
427A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.5  

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