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846021-82-7 | L-Isoleucinamide, L-prolyl-L-leucylglycyl-
CAS No: 846021-82-7 Catalog No: AG00511Q MDL No:
Product Description
Catalog Number:
AG00511Q
Chemical Name:
L-Isoleucinamide, L-prolyl-L-leucylglycyl-
CAS Number:
846021-82-7
Molecular Formula:
C19H35N5O4
Molecular Weight:
397.5123
IUPAC Name:
(2S)-N-[(2S)-1-[[2-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C19H35N5O4/c1-5-12(4)16(17(20)26)24-15(25)10-22-18(27)14(9-11(2)3)23-19(28)13-7-6-8-21-13/h11-14,16,21H,5-10H2,1-4H3,(H2,20,26)(H,22,27)(H,23,28)(H,24,25)/t12-,13-,14-,16-/m0/s1
InChI Key:
KAVRSQMWXNUUTM-YXWQFLTLSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)CC(C)C)C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
397.269g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
397.52g/mol
Monoisotopic Mass:
397.269g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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