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157535-99-4 | L-Proline, L-lysylglycyl-L-arginyl- (9CI)
CAS No: 157535-99-4 Catalog No: AG001PIK MDL No:
Product Description
Catalog Number:
AG001PIK
Chemical Name:
L-Proline, L-lysylglycyl-L-arginyl- (9CI)
CAS Number:
157535-99-4
Molecular Formula:
C19H36N8O5
Molecular Weight:
456.5397
IUPAC Name:
(2S)-1-[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C19H36N8O5/c20-8-2-1-5-12(21)16(29)25-11-15(28)26-13(6-3-9-24-19(22)23)17(30)27-10-4-7-14(27)18(31)32/h12-14H,1-11,20-21H2,(H,25,29)(H,26,28)(H,31,32)(H4,22,23,24)/t12-,13-,14-/m0/s1
InChI Key:
JXEMVNBFRZLGRB-IHRRRGAJSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCCNC(=N)N)N
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
456.281g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
456.548g/mol
Monoisotopic Mass:
456.281g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.3
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