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848350-85-6

848350-85-6 | L-Serine, L-phenylalanyl-L-asparaginyl-L-tyrosyl-L-threonyl-L-phenylalanyl-

CAS No: 848350-85-6 Catalog No: AG004QTN MDL No:

Product Description

Catalog Number:
AG004QTN
Chemical Name:
L-Serine, L-phenylalanyl-L-asparaginyl-L-tyrosyl-L-threonyl-L-phenylalanyl-
CAS Number:
848350-85-6
Molecular Formula:
C38H47N7O11
Molecular Weight:
777.8201
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C38H47N7O11/c1-21(47)32(37(54)43-27(17-23-10-6-3-7-11-23)34(51)44-30(20-46)38(55)56)45-36(53)28(18-24-12-14-25(48)15-13-24)42-35(52)29(19-31(40)49)41-33(50)26(39)16-22-8-4-2-5-9-22/h2-15,21,26-30,32,46-48H,16-20,39H2,1H3,(H2,40,49)(H,41,50)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,55,56)/t21-,26+,27+,28+,29+,30+,32+/m1/s1
InChI Key:
MYTVQXHKAFTQMX-JMFYOMKFSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1

Properties

Complexity:
1330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
777.333g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
777.832g/mol
Monoisotopic Mass:
777.333g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
313A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3  

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