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188777-47-1 | Pentanoic acid, 2-[2-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)hydrazinyl]-3-methyl-, (2S,3S)-
CAS No: 188777-47-1 Catalog No: AG002HAI MDL No:
Product Description
Catalog Number:
AG002HAI
Chemical Name:
Pentanoic acid, 2-[2-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)hydrazinyl]-3-methyl-, (2S,3S)-
CAS Number:
188777-47-1
Molecular Formula:
C18H28N2O4
Molecular Weight:
336.4259
IUPAC Name:
(2R)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C18H28N2O4/c1-6-13(2)15(16(21)22)20(12-14-10-8-7-9-11-14)19-17(23)24-18(3,4)5/h7-11,13,15H,6,12H2,1-5H3,(H,19,23)(H,21,22)/t13?,15-/m1/s1
InChI Key:
VOVAEVRERZBTPA-AWKYBWMHSA-N
SMILES:
CC[C@@H]([C@H](N(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.432g/mol
Monoisotopic Mass:
336.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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