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144164-11-4 | Carbamic acid, N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester
CAS No: 144164-11-4 Catalog No: AG001J1A MDL No:MFCD07367634
Product Description
Catalog Number:
AG001J1A
Chemical Name:
Carbamic acid, N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester
CAS Number:
144164-11-4
Molecular Formula:
C23H27N3O3S
Molecular Weight:
425.5438
MDL Number:
MFCD07367634
IUPAC Name:
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
InChI:
InChI=1S/C23H27N3O3S/c24-19(11-17-7-3-1-4-8-17)13-22(27)21(12-18-9-5-2-6-10-18)26-23(28)29-15-20-14-25-16-30-20/h1-10,14,16,19,21-22,27H,11-13,15,24H2,(H,26,28)/t19-,21-,22-/m0/s1
InChI Key:
HBPTXDXGWDVDON-BVSLBCMMSA-N
SMILES:
N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)OCc1cncs1)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
425.177g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
425.547g/mol
Monoisotopic Mass:
425.177g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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