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17479-62-8 | Pentanoic acid, 5-[[(1S)-2-(2-naphthalenylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-5-oxo-
CAS No: 17479-62-8 Catalog No: AG001ZY9 MDL No:
Product Description
Catalog Number:
AG001ZY9
Chemical Name:
Pentanoic acid, 5-[[(1S)-2-(2-naphthalenylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-5-oxo-
CAS Number:
17479-62-8
Molecular Formula:
C24H24N2O4
Molecular Weight:
404.4584
IUPAC Name:
5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C24H24N2O4/c27-22(11-6-12-23(28)29)26-21(15-17-7-2-1-3-8-17)24(30)25-20-14-13-18-9-4-5-10-19(18)16-20/h1-5,7-10,13-14,16,21H,6,11-12,15H2,(H,25,30)(H,26,27)(H,28,29)/t21-/m0/s1
InChI Key:
UNBPEIBIPPJZIR-NRFANRHFSA-N
SMILES:
O=C(N[C@H](C(=O)Nc1ccc2c(c1)cccc2)Cc1ccccc1)CCCC(=O)O
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
404.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
404.466g/mol
Monoisotopic Mass:
404.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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