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133082-03-8

133082-03-8 | L-Leucinamide, L-tyrosyl-L-phenylalanyl-L-seryl-L-prolyl-L-arginyl-

CAS No: 133082-03-8 Catalog No: AG00147X MDL No:

Product Description

Catalog Number:
AG00147X
Chemical Name:
L-Leucinamide, L-tyrosyl-L-phenylalanyl-L-seryl-L-prolyl-L-arginyl-
CAS Number:
133082-03-8
Molecular Formula:
C38H56N10O8
Molecular Weight:
780.9134
IUPAC Name:
1-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]-N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C38H56N10O8/c1-22(2)18-28(32(40)51)45-34(53)27(10-6-16-43-38(41)42)44-36(55)31-11-7-17-48(31)37(56)30(21-49)47-35(54)29(20-23-8-4-3-5-9-23)46-33(52)26(39)19-24-12-14-25(50)15-13-24/h3-5,8-9,12-15,22,26-31,49-50H,6-7,10-11,16-21,39H2,1-2H3,(H2,40,51)(H,44,55)(H,45,53)(H,46,52)(H,47,54)(H4,41,42,43)
InChI Key:
OXVZZXCCHGNYDF-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N

Properties

Complexity:
1350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
780.428g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
780.928g/mol
Monoisotopic Mass:
780.428g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
311A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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