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825613-75-0

825613-75-0 | L-Serine, L-histidyl-L-leucyl-L-seryl-L-asparaginyl-L-leucyl-L-alanyl-

CAS No: 825613-75-0 Catalog No: AG005DX4 MDL No:

Product Description

Catalog Number:
AG005DX4
Chemical Name:
L-Serine, L-histidyl-L-leucyl-L-seryl-L-asparaginyl-L-leucyl-L-alanyl-
CAS Number:
825613-75-0
Molecular Formula:
C31H52N10O11
Molecular Weight:
740.8050
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C31H52N10O11/c1-14(2)6-19(27(47)36-16(5)25(45)41-23(12-43)31(51)52)38-29(49)21(9-24(33)44)39-30(50)22(11-42)40-28(48)20(7-15(3)4)37-26(46)18(32)8-17-10-34-13-35-17/h10,13-16,18-23,42-43H,6-9,11-12,32H2,1-5H3,(H2,33,44)(H,34,35)(H,36,47)(H,37,46)(H,38,49)(H,39,50)(H,40,48)(H,41,45)(H,51,52)/t16-,18-,19-,20-,21-,22-,23-/m0/s1
InChI Key:
RGLYKEXKVRKROW-KHXQEATISA-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)C)CC(C)C)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)CC(C)C

Properties

Complexity:
1270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
740.382g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
740.816g/mol
Monoisotopic Mass:
740.382g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
350A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7  

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