AG00ABN7

Name: BMS-983970
Brand: Angene Chemical
SKU: AG00ABN7

1584713-87-0 | BMS-983970

AG00ABN7

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CAS Number	1584713-87-0
Catalog Number	AG00ABN7
Chemical Name	BMS-983970
IUPAC Name	(2S,3R)-2-(cyclopropylmethyl)-N'-[(3S)-9-fluoro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,3,3-trifluoropropyl)butanediamide
InChI	InChI=1S/C26H26F4N4O3/c27-19-8-4-7-17-20(15-5-2-1-3-6-15)32-23(25(37)33-21(17)19)34-24(36)16(11-12-26(28,29)30)18(22(31)35)13-14-9-10-14/h1-8,14,16,18,23H,9-13H2,(H2,31,35)(H,33,37)(H,34,36)/t16-,18+,23-/m1/s1
InChI Key	RANYIWAZSQWERN-WLENULPWSA-N
MDL Number	MFCD28385842
Molecular Formula	C26H26F4N4O3
Molecular Weight	518.5033
SMILES	C(N[C@H]1N=C(C2=CC=CC=C2)C2=CC=CC(F)=C2NC1=O)(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC1)C(N)=O
Synonyms	BMS-983970, 1584713-87-0, SCHEMBL15619937, AKOS030526598, ZINC207703472, CS-3505, NCGC00390592-01, HY-12419,

Complexity	886
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	518.194g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	518.513g/mol
Monoisotopic Mass	518.194g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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