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896730-70-4 | L-Valine, L-leucyl-L-arginyl-
CAS No: 896730-70-4 Catalog No: AG0044IF MDL No:
Product Description
Catalog Number:
AG0044IF
Chemical Name:
L-Valine, L-leucyl-L-arginyl-
CAS Number:
896730-70-4
Molecular Formula:
C17H34N6O4
Molecular Weight:
386.4897
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C17H34N6O4/c1-9(2)8-11(18)14(24)22-12(6-5-7-21-17(19)20)15(25)23-13(10(3)4)16(26)27/h9-13H,5-8,18H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)/t11-,12-,13-/m0/s1
InChI Key:
DUBAVOVZNZKEQQ-AVGNSLFASA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCCNC(=N)N)N)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
386.264g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
386.497g/mol
Monoisotopic Mass:
386.264g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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