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872617-49-7 | L-Histidine, L-seryl-L-prolyl-L-arginyl-L-arginyl-
CAS No: 872617-49-7 Catalog No: AG004IA9 MDL No:
Product Description
Catalog Number:
AG004IA9
Chemical Name:
L-Histidine, L-seryl-L-prolyl-L-arginyl-L-arginyl-
CAS Number:
872617-49-7
Molecular Formula:
C26H45N13O7
Molecular Weight:
651.7184
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C26H45N13O7/c27-15(12-40)23(44)39-9-3-6-19(39)22(43)37-17(5-2-8-34-26(30)31)20(41)36-16(4-1-7-33-25(28)29)21(42)38-18(24(45)46)10-14-11-32-13-35-14/h11,13,15-19,40H,1-10,12,27H2,(H,32,35)(H,36,41)(H,37,43)(H,38,42)(H,45,46)(H4,28,29,33)(H4,30,31,34)/t15-,16-,17-,18-,19-/m0/s1
InChI Key:
FWSKEARSGNHBJR-VMXHOPILSA-N
SMILES:
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1nc[nH]c1)CCCNC(=N)N)CCCNC(=N)N)N
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
651.356g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
651.73g/mol
Monoisotopic Mass:
651.356g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
349A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.4
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