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838829-79-1

838829-79-1 | L-Arginine, L-valyl-L-alanyl-L-threonyl-L-valyl-L-seryl-L-leucyl-L-prolyl-

CAS No: 838829-79-1 Catalog No: AG00544Q MDL No:

Product Description

Catalog Number:
AG00544Q
Chemical Name:
L-Arginine, L-valyl-L-alanyl-L-threonyl-L-valyl-L-seryl-L-leucyl-L-prolyl-
CAS Number:
838829-79-1
Molecular Formula:
C37H67N11O11
Molecular Weight:
841.9950
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C37H67N11O11/c1-17(2)15-23(35(57)48-14-10-12-25(48)31(53)43-22(36(58)59)11-9-13-41-37(39)40)44-30(52)24(16-49)45-33(55)27(19(5)6)46-34(56)28(21(8)50)47-29(51)20(7)42-32(54)26(38)18(3)4/h17-28,49-50H,9-16,38H2,1-8H3,(H,42,54)(H,43,53)(H,44,52)(H,45,55)(H,46,56)(H,47,51)(H,58,59)(H4,39,40,41)/t20-,21+,22-,23-,24-,25-,26-,27-,28-/m0/s1
InChI Key:
YZBHDCGEBGGVKA-XYIVDDOISA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)C

Properties

Complexity:
1510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
841.502g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
842.009g/mol
Monoisotopic Mass:
841.502g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
363A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8  

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