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1417789-33-3 | 1-Piperidinecarboxylic acid, 4-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1417789-33-3 Catalog No: AG001H1P MDL No:MFCD22631786
Product Description
Catalog Number:
AG001H1P
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1417789-33-3
Molecular Formula:
C23H35N3O5
Molecular Weight:
433.5411
MDL Number:
MFCD22631786
IUPAC Name:
tert-butyl 4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]piperidine-1-carboxylate
InChI:
InChI=1S/C23H35N3O5/c1-16(2)19(25-21(28)30-15-17-9-7-6-8-10-17)20(27)24-18-11-13-26(14-12-18)22(29)31-23(3,4)5/h6-10,16,18-19H,11-15H2,1-5H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChI Key:
JFLVYLUYGNOFGT-IBGZPJMESA-N
SMILES:
CC([C@@H](C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
433.258g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.549g/mol
Monoisotopic Mass:
433.258g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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