Home Carboxys (2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride

(2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride

CAS No.:
74874-08-1
Catalog Number:
AG008OQ3
Molecular Formula:
C15H29ClN6O5
Molecular Weight:
408.8810
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Product Description
Catalog Number:
AG008OQ3
Chemical Name:
(2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride
CAS Number:
74874-08-1
Molecular Formula:
C15H29ClN6O5
Molecular Weight:
408.8810
MDL Number:
MFCD11982553
IUPAC Name:
ethyl (2R,4R)-1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C15H28N6O5.ClH/c1-3-26-14(23)12-9-10(2)6-8-20(12)13(22)11(16)5-4-7-18-15(17)19-21(24)25;/h10-12H,3-9,16H2,1-2H3,(H3,17,18,19);1H/t10-,11?,12-;/m1./s1
InChI Key:
KYMBEZAOVMYAGM-ZZCQIGCDSA-N
SMILES:
CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)C(CCCNC(=N)N[N+](=O)[O-])N.Cl
Properties
Complexity:
535  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
408.189g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
408.884g/mol
Monoisotopic Mass:
408.189g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties