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298227-25-5 | L-ALANINAMIDE, N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-N-METHYL-3-(5-THIAZOLYL)- (9CI)
CAS No: 298227-25-5 Catalog No: AG007K4I MDL No:
Product Description
Catalog Number:
AG007K4I
Chemical Name:
L-ALANINAMIDE, N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-N-METHYL-3-(5-THIAZOLYL)- (9CI)
CAS Number:
298227-25-5
Molecular Formula:
C21H28N4O4S
Molecular Weight:
432.5364
IUPAC Name:
benzyl N-[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopentan-2-yl]carbamate
InChI:
InChI=1S/C21H28N4O4S/c1-14(2)9-17(25-21(28)29-12-15-7-5-4-6-8-15)20(27)24-18(19(26)22-3)10-16-11-23-13-30-16/h4-8,11,13-14,17-18H,9-10,12H2,1-3H3,(H,22,26)(H,24,27)(H,25,28)/t17-,18-/m0/s1
InChI Key:
CCQBQWQVCCUJDO-ROUUACIJSA-N
SMILES:
CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)Cc1scnc1
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
432.183g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
432.539g/mol
Monoisotopic Mass:
432.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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