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1416445-14-1 | 2H-Tetrazole-5-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, ethyl ester, (αS)-
CAS No: 1416445-14-1 Catalog No: AG001GTP MDL No:
Product Description
Catalog Number:
AG001GTP
Chemical Name:
2H-Tetrazole-5-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, ethyl ester, (αS)-
CAS Number:
1416445-14-1
Molecular Formula:
C21H21N5O4
Molecular Weight:
407.4225
IUPAC Name:
ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2H-tetrazol-5-yl)propanoate
InChI:
InChI=1S/C21H21N5O4/c1-2-29-20(27)18(11-19-23-25-26-24-19)22-21(28)30-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,2,11-12H2,1H3,(H,22,28)(H,23,24,25,26)/t18-/m0/s1
InChI Key:
LYPYGRJZPLDXAI-SFHVURJKSA-N
SMILES:
CCOC(=O)[C@H](Cc1n[nH]nn1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.43g/mol
Monoisotopic Mass:
407.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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