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858361-30-5

858361-30-5 | L-Serine, L-leucyl-L-alanyl-L-seryl-L-asparaginyl-L-leucyl-L-glutaminyl-

CAS No: 858361-30-5 Catalog No: AG004O8B MDL No:

Product Description

Catalog Number:
AG004O8B
Chemical Name:
L-Serine, L-leucyl-L-alanyl-L-seryl-L-asparaginyl-L-leucyl-L-glutaminyl-
CAS Number:
858361-30-5
Molecular Formula:
C30H53N9O12
Molecular Weight:
731.7949
IUPAC Name:
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C30H53N9O12/c1-13(2)8-16(31)25(45)34-15(5)24(44)38-20(11-40)29(49)37-19(10-23(33)43)28(48)36-18(9-14(3)4)27(47)35-17(6-7-22(32)42)26(46)39-21(12-41)30(50)51/h13-21,40-41H,6-12,31H2,1-5H3,(H2,32,42)(H2,33,43)(H,34,45)(H,35,47)(H,36,48)(H,37,49)(H,38,44)(H,39,46)(H,50,51)/t15-,16-,17-,18-,19-,20-,21-/m0/s1
InChI Key:
FJRYNHZUVHFIFS-BPSSIEEOSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)C

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
731.381g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
731.805g/mol
Monoisotopic Mass:
731.381g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
365A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.7  

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