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155113-00-1 | L-Arginine, L-asparaginyl-L-leucyl-L-prolyl- (9CI)
CAS No: 155113-00-1 Catalog No: AG001NLY MDL No:
Product Description
Catalog Number:
AG001NLY
Chemical Name:
L-Arginine, L-asparaginyl-L-leucyl-L-prolyl- (9CI)
CAS Number:
155113-00-1
Molecular Formula:
C21H38N8O6
Molecular Weight:
498.5764
IUPAC Name:
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
InChI:
InChI=1S/C21H38N8O6/c1-11(2)9-14(28-17(31)12(22)10-16(23)30)19(33)29-8-4-6-15(29)18(32)27-13(20(34)35)5-3-7-26-21(24)25/h11-15H,3-10,22H2,1-2H3,(H2,23,30)(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13-,14-,15-/m0/s1
InChI Key:
ZATVDHZFKSHWDQ-AJNGGQMLSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)N)C
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
498.291g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
498.585g/mol
Monoisotopic Mass:
498.291g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.4
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