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259195-59-0 | Heptanoic acid, 3,7-bis[[(phenylmethoxy)carbonyl]amino]-, (3S)-
CAS No: 259195-59-0 Catalog No: AG002R10 MDL No:MFCD09878765
Product Description
Catalog Number:
AG002R10
Chemical Name:
Heptanoic acid, 3,7-bis[[(phenylmethoxy)carbonyl]amino]-, (3S)-
CAS Number:
259195-59-0
Molecular Formula:
C23H28N2O6
Molecular Weight:
428.4782
MDL Number:
MFCD09878765
IUPAC Name:
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
InChI:
InChI=1S/C23H28N2O6/c26-21(27)15-20(25-23(29)31-17-19-11-5-2-6-12-19)13-7-8-14-24-22(28)30-16-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H,24,28)(H,25,29)(H,26,27)/t20-/m0/s1
InChI Key:
RPXXCGBSEMSKNB-FQEVSTJZSA-N
SMILES:
O=C(OCc1ccccc1)NCCCC[C@H](NC(=O)OCc1ccccc1)CC(=O)O
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
428.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
428.485g/mol
Monoisotopic Mass:
428.195g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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