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ethyl,2-[[2-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl

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摘 要: ethyl,2-[[2-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbutanoyl],amino]-3-methylpentanoyl]amino]propanoate,Canonical SMILES: CCC(C)C(C(=O)NC(C)C(=O)OCC)NC(=O)C(C(C)C)N=CC1=C(C=CC2=CC=CC=C21)O,InChI: InChI=1/C27H37N3O5/c1-7-17(5)24(26(3
[Synonyms]

[Structure]
 ethyl,2-[[2-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl

[ Properties Computed from Structure]
Molecular Weight483.59978 [g/mol]
Molecular FormulaC27H37N3O5
XLogP4.5
H-Bond Donor3
H-Bond Acceptor6
Rotatable Bond Count12
Tautomer Count16
Exact Mass483.273321
MonoIsotopic Mass483.273321
Topological Polar Surface Area117
Heavy Atom Count35
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count4
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
2-[[2-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylbutanoyl]
amino]-3-methylpentanoyl]amino]propanoate
Canonical SMILES: CCC(C)C(C(=O)NC(C)C(=O)OCC)NC(=O)C(C(C)C)N=CC1=C(C=CC2=CC=CC=C21)O
InChI: InChI=1/C27H37N3O5/c1-7-17(5)24(26(33)29-18(6)27(34)35-8-2)30-25(32)23
(16(3)4)28-15-21-20-12-10-9-11-19(20)13-14-22(21)31/h9-18,23-24,31H,
7-8H2,1-6H3,(H,29,33)(H,30,32)/f/h29-30H

 
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