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131131-19-6

131131-19-6 | Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-glutaminyl-L-valyl-L-valyl- (9CI)

CAS No: 131131-19-6 Catalog No: AG000VLK MDL No:

Product Description

Catalog Number:
AG000VLK
Chemical Name:
Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-glutaminyl-L-valyl-L-valyl- (9CI)
CAS Number:
131131-19-6
Molecular Formula:
C38H55N9O9
Molecular Weight:
781.8982
IUPAC Name:
2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-N-[1-[[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide
InChI:
InChI=1S/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)
InChI Key:
AYTWCJSQTGWMEQ-UHFFFAOYSA-N
SMILES:
NC(=O)CC[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:
1360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
781.412g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
781.912g/mol
Monoisotopic Mass:
781.412g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
307A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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