AG00ELVN

Name: SB 297006
Brand: Angene Chemical
SKU: AG00ELVN

58816-69-6 | SB 297006

AG00ELVN

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CAS Number	58816-69-6
Catalog Number	AG00ELVN
Chemical Name	SB 297006
IUPAC Name	ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
InChI	InChI=1S/C18H18N2O5/c1-2-25-18(22)16(19-17(21)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(23)24/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
InChI Key	BEZXGSZPWXRHIN-INIZCTEOSA-N
MDL Number	MFCD19690954
Molecular Formula	C18H18N2O5
Molecular Weight	342.3459
SMILES	C(C1=CC=CC=C1)(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC
Synonyms	ethyl 2-benzoylamino-3-(4-nitrophenyl)propionate, SB 297006, SB-297006, SB 297006, 58816-69-6, SB297006, CHEMBL284954, SCHEMBL3936094, BEZXGSZPWXRHIN-INIZCTEOSA-N, EX-A2738, BDBM50100041, N-Benzoyl-4-nitroaniline ethyl ester, ZINC29225159, AKOS024458038, HY-103361, CS-0027745, SB 297006, >=98% (HPLC), ethyl (S)-2-benzamido-3-(4-nitrophenyl)propanoate, (S)-Ethyl-2-benzoylamino-3-(4-nitrophenyl)propionate, (S)-2-Benzoylamino-3-(4-nitro-phenyl)-propionic acid ethyl ester, CID9840971, SB-297006, Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate,

Complexity	463
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	342.122g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	342.351g/mol
Monoisotopic Mass	342.122g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited