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143909-37-9

143909-37-9 | L-Leucine, L-threonyl-L-arginyl-L-seryl-L-alanyl-L-tryptophyl- (9CI)

CAS No: 143909-37-9 Catalog No: AG001ILR MDL No:

Product Description

Catalog Number:
AG001ILR
Chemical Name:
L-Leucine, L-threonyl-L-arginyl-L-seryl-L-alanyl-L-tryptophyl- (9CI)
CAS Number:
143909-37-9
Molecular Formula:
C33H52N10O9
Molecular Weight:
732.8276
IUPAC Name:
2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C33H52N10O9/c1-16(2)12-24(32(51)52)42-29(48)23(13-19-14-38-21-9-6-5-8-20(19)21)41-27(46)17(3)39-30(49)25(15-44)43-28(47)22(10-7-11-37-33(35)36)40-31(50)26(34)18(4)45/h5-6,8-9,14,16-18,22-26,38,44-45H,7,10-13,15,34H2,1-4H3,(H,39,49)(H,40,50)(H,41,46)(H,42,48)(H,43,47)(H,51,52)(H4,35,36,37)
InChI Key:
RQSRFVDOGQVZDE-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CCCNC(=N)N

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
732.392g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
732.84g/mol
Monoisotopic Mass:
732.392g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
330A^2
Undefined Atom Stereocenter Count:
7  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6  

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