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81671-57-0 | Glycine, L-histidylglycyl-L-histidyl-
CAS No: 81671-57-0 Catalog No: AG005JF8 MDL No:
Product Description
Catalog Number:
AG005JF8
Chemical Name:
Glycine, L-histidylglycyl-L-histidyl-
CAS Number:
81671-57-0
Molecular Formula:
C16H22N8O5
Molecular Weight:
406.3965
IUPAC Name:
2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C16H22N8O5/c17-11(1-9-3-18-7-22-9)15(28)20-5-13(25)24-12(2-10-4-19-8-23-10)16(29)21-6-14(26)27/h3-4,7-8,11-12H,1-2,5-6,17H2,(H,18,22)(H,19,23)(H,20,28)(H,21,29)(H,24,25)(H,26,27)/t11-,12-/m0/s1
InChI Key:
RDMKAVOPCLTNQY-RYUDHWBXSA-N
SMILES:
O=C(N[C@H](C(=O)NCC(=O)O)Cc1c[nH]cn1)CNC(=O)[C@H](Cc1c[nH]cn1)N
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
406.171g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
406.403g/mol
Monoisotopic Mass:
406.171g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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