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137605-60-8 | L-Alaninamide, N-acetyl-L-alanyl-L-alanyl-N-(1,1-dimethylethyl)- (9CI)
CAS No: 137605-60-8 Catalog No: AG0013MK MDL No:
Product Description
Catalog Number:
AG0013MK
Chemical Name:
L-Alaninamide, N-acetyl-L-alanyl-L-alanyl-N-(1,1-dimethylethyl)- (9CI)
CAS Number:
137605-60-8
Molecular Formula:
C15H28N4O4
Molecular Weight:
328.4072
IUPAC Name:
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
InChI:
InChI=1S/C15H28N4O4/c1-8(16-11(4)20)12(21)17-9(2)13(22)18-10(3)14(23)19-15(5,6)7/h8-10H,1-7H3,(H,16,20)(H,17,21)(H,18,22)(H,19,23)/t8-,9-,10-/m0/s1
InChI Key:
QRMJYQVJBBJIIW-GUBZILKMSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C)C)C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
328.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
328.413g/mol
Monoisotopic Mass:
328.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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