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820208-60-4

820208-60-4 | L-Serine, L-alanyl-L-alanyl-L-alanyl-L-seryl-L-serylglycyl-L-phenylalanyl-

CAS No: 820208-60-4 Catalog No: AG005E5H MDL No:

Product Description

Catalog Number:
AG005E5H
Chemical Name:
L-Serine, L-alanyl-L-alanyl-L-alanyl-L-seryl-L-serylglycyl-L-phenylalanyl-
CAS Number:
820208-60-4
Molecular Formula:
C29H44N8O12
Molecular Weight:
696.7061
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C29H44N8O12/c1-14(30)23(42)32-15(2)24(43)33-16(3)25(44)35-20(12-39)28(47)36-19(11-38)26(45)31-10-22(41)34-18(9-17-7-5-4-6-8-17)27(46)37-21(13-40)29(48)49/h4-8,14-16,18-21,38-40H,9-13,30H2,1-3H3,(H,31,45)(H,32,42)(H,33,43)(H,34,41)(H,35,44)(H,36,47)(H,37,46)(H,48,49)/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChI Key:
JVMCTQRYLAGQCL-BULBTXNYSA-N
SMILES:
OC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)C)CO

Properties

Complexity:
1180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
696.308g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
696.715g/mol
Monoisotopic Mass:
696.308g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
328A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.3  

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