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823233-20-1 | L-Threonine, L-serylglycyl-L-arginyl-L-threonyl-
CAS No: 823233-20-1 Catalog No: AG005E10 MDL No:
Product Description
Catalog Number:
AG005E10
Chemical Name:
L-Threonine, L-serylglycyl-L-arginyl-L-threonyl-
CAS Number:
823233-20-1
Molecular Formula:
C19H36N8O9
Molecular Weight:
520.5373
IUPAC Name:
(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C19H36N8O9/c1-8(29)13(17(34)27-14(9(2)30)18(35)36)26-16(33)11(4-3-5-23-19(21)22)25-12(31)6-24-15(32)10(20)7-28/h8-11,13-14,28-30H,3-7,20H2,1-2H3,(H,24,32)(H,25,31)(H,26,33)(H,27,34)(H,35,36)(H4,21,22,23)/t8-,9-,10+,11+,13+,14+/m1/s1
InChI Key:
XICXQZMFNWQGJZ-IJJRAJKASA-N
SMILES:
OC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@H](O)C)CCCNC(=N)N)N
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
520.261g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
520.544g/mol
Monoisotopic Mass:
520.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
305A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.9
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