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122752-15-2

122752-15-2 | Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-α-aspartyl-L-valyl-L-valyl-

CAS No: 122752-15-2 Catalog No: AG000JAW MDL No:

Product Description

Catalog Number:
AG000JAW
Chemical Name:
Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-α-aspartyl-L-valyl-L-valyl-
CAS Number:
122752-15-2
Molecular Formula:
C37H52N8O10
Molecular Weight:
768.8564
IUPAC Name:
(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
InChI Key:
CJAORFIPPWIGPG-QXYJMILXSA-N
SMILES:
OC(=O)C[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:
1350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
768.381g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
768.869g/mol
Monoisotopic Mass:
768.381g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
301A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Literature

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