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179119-75-6 | L-Histidine, L-leucyl-L-leucyl-L-prolyl-L-histidyl- (9CI)
CAS No: 179119-75-6 Catalog No: AG0026TH MDL No:
Product Description
Catalog Number:
AG0026TH
Chemical Name:
L-Histidine, L-leucyl-L-leucyl-L-prolyl-L-histidyl- (9CI)
CAS Number:
179119-75-6
Molecular Formula:
C29H45N9O6
Molecular Weight:
615.7243
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C29H45N9O6/c1-16(2)8-20(30)25(39)36-22(9-17(3)4)28(42)38-7-5-6-24(38)27(41)35-21(10-18-12-31-14-33-18)26(40)37-23(29(43)44)11-19-13-32-15-34-19/h12-17,20-24H,5-11,30H2,1-4H3,(H,31,33)(H,32,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t20-,21-,22-,23-,24-/m0/s1
InChI Key:
WPLGSZNSEQILJO-LSBAASHUSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]cn1)Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)N)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
615.349g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
615.736g/mol
Monoisotopic Mass:
615.349g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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