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10088-11-6

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Basic Information
CAS No.: 10088-11-6
Name: 5-benzyl N-[(2-nitrophenyl)thio]-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)
Molecular Structure:
Molecular Structure of 10088-11-6 (5-benzyl N-[(2-nitrophenyl)thio]-2-aminoglutarate, compound with N-dicyclohexylamine (1:1))
Formula: C30H41N3O6S
Molecular Weight: 571.738
Synonyms: N-Cyclohexylcyclohexanamine;
EINECS: 233-217-6
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  • 5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)

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  • 5-benzyl N-[(2-nitrophenyl)thio]-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)

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  • 5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)

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    10088-11-6

    5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)

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  • 5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)

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    5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1)

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    FOB Price:  USD $ 0.0-0.0

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Specification

 

The 5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1) has CAS registry number 10088-11-6. Its EINECS registry number is 233-217-6. This chemical's molecular formula is C30H41N3O6S and molecular weight is 571.728040. What's more, its IUPAC name is N-Cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-5-oxo-5-phenylmethoxypentanoic acid. 

Physical properties about The 5-Benzyl N-((2-nitrophenyl)thio)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1) are: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 12; (4)Exact Mass: 571.271607; (5)MonoIsotopic Mass: 571.271607; (6)Topological Polar Surface Area: 159; (7)Heavy Atom Count: 40; (8)Formal Charge: 0; (9)Complexity: 623; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 1; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]
(2) InChI: InChI=1S/C18H18N2O6S.C12H23N/c21-17(26-12-13-6-2-1-3-7-13)11-10-14(18(22)23)19-27-16-9-5-4-8-15(16)20(24)25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,14,19H,10-12H2,(H,22,23);11-13H,1-10H2
(3) InChIKey: BCKJSAMMYQTYRU-UHFFFAOYSA-N