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138524-09-1

138524-09-1 | Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-cysteinyl-L-valyl-L-valyl- (9CI)

CAS No: 138524-09-1 Catalog No: AG0019DK MDL No:

Product Description

Catalog Number:
AG0019DK
Chemical Name:
Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-cysteinyl-L-valyl-L-valyl- (9CI)
CAS Number:
138524-09-1
Molecular Formula:
C36H52N8O8S
Molecular Weight:
756.9119
IUPAC Name:
2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-N-[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
InChI:
InChI=1S/C36H52N8O8S/c1-19(2)29(35(51)39-17-28(38)46)44-36(52)30(20(3)4)43-34(50)27(18-53)42-33(49)26(16-22-9-7-6-8-10-22)41-31(47)21(5)40-32(48)25(37)15-23-11-13-24(45)14-12-23/h6-14,19-21,25-27,29-30,45,53H,15-18,37H2,1-5H3,(H2,38,46)(H,39,51)(H,40,48)(H,41,47)(H,42,49)(H,43,50)(H,44,52)
InChI Key:
IUQHWEBXYHECHQ-UHFFFAOYSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
756.363g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
756.92g/mol
Monoisotopic Mass:
756.363g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
265A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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