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27545-14-8

27545-14-8 | Glycine, N-[N-[N-[N-(N-carboxy-L-threonyl)-L-alanyl]-L-leucyl]-L-leucyl]-, N-benzyl ester, hydrazide (8CI)

CAS No: 27545-14-8 Catalog No: AG002U1O MDL No:

Product Description

Catalog Number:
AG002U1O
Chemical Name:
Glycine, N-[N-[N-[N-(N-carboxy-L-threonyl)-L-alanyl]-L-leucyl]-L-leucyl]-, N-benzyl ester, hydrazide (8CI)
CAS Number:
27545-14-8
Molecular Formula:
C29H47N7O8
Molecular Weight:
621.7256
IUPAC Name:
benzyl N-[1-[[1-[[1-[[1-[(2-hydrazinyl-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C29H47N7O8/c1-16(2)12-21(26(40)31-14-23(38)36-30)34-27(41)22(13-17(3)4)33-25(39)18(5)32-28(42)24(19(6)37)35-29(43)44-15-20-10-8-7-9-11-20/h7-11,16-19,21-22,24,37H,12-15,30H2,1-6H3,(H,31,40)(H,32,42)(H,33,39)(H,34,41)(H,35,43)(H,36,38)
InChI Key:
WPRQBRWEKMBXEP-UHFFFAOYSA-N
SMILES:
NNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)OCc1ccccc1)C)CC(C)C)CC(C)C
NSC Number:
126139

Properties

Complexity:
971  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.349g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
621.736g/mol
Monoisotopic Mass:
621.349g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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