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174158-02-2 | L-Argininamide, L-leucyl-L-isoleucylglycyl-
CAS No: 174158-02-2 Catalog No: AG001ZHQ MDL No:
Product Description
Catalog Number:
AG001ZHQ
Chemical Name:
L-Argininamide, L-leucyl-L-isoleucylglycyl-
CAS Number:
174158-02-2
Molecular Formula:
C20H40N8O4
Molecular Weight:
456.5828
IUPAC Name:
(2S,3S)-N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanamide
InChI:
InChI=1S/C20H40N8O4/c1-5-12(4)16(28-18(31)13(21)9-11(2)3)19(32)26-10-15(29)27-14(17(22)30)7-6-8-25-20(23)24/h11-14,16H,5-10,21H2,1-4H3,(H2,22,30)(H,26,32)(H,27,29)(H,28,31)(H4,23,24,25)/t12-,13-,14-,16-/m0/s1
InChI Key:
HAVUZXLKHMBQNU-YXWQFLTLSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@H](CC(C)C)N)C
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
456.317g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
456.592g/mol
Monoisotopic Mass:
456.317g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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