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821778-31-8 | L-Glutamic acid, L-histidyl-L-isoleucyl-L-lysyl-
CAS No: 821778-31-8 Catalog No: AG005IT6 MDL No:
Product Description
Catalog Number:
AG005IT6
Chemical Name:
L-Glutamic acid, L-histidyl-L-isoleucyl-L-lysyl-
CAS Number:
821778-31-8
Molecular Formula:
C23H39N7O7
Molecular Weight:
525.5985
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C23H39N7O7/c1-3-13(2)19(30-20(33)15(25)10-14-11-26-12-27-14)22(35)28-16(6-4-5-9-24)21(34)29-17(23(36)37)7-8-18(31)32/h11-13,15-17,19H,3-10,24-25H2,1-2H3,(H,26,27)(H,28,35)(H,29,34)(H,30,33)(H,31,32)(H,36,37)/t13-,15-,16-,17-,19-/m0/s1
InChI Key:
JMDWTTJFGSOTRZ-QCGYCXEESA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]cn1)N
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
525.291g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
525.607g/mol
Monoisotopic Mass:
525.291g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
243A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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