AG00GU6P

916141-36-1 | N-[1,1'-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide

AG00GU6P

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CAS Number	916141-36-1
Catalog Number	AG00GU6P(AGN-PC-0VTO1N)
Chemical Name	N-[1,1'-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide
IUPAC Name	(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
InChI	InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1
InChI Key	YSBGRVXJEMSEQY-DEOSSOPVSA-N
MDL Number	MFCD18086894
Molecular Formula	C27H26N4O2S
Molecular Weight	470.5859
SMILES	O=C([C@H]1N(C(CSC2=NC3=CC=CC=C3N2C)=O)CCC1)NC4=CC=CC=C4C5=CC=CC=C5
Synonyms	N-(1,1'-biphenyl)-2-yl-1-(2-((1-methyl-1H-benzimidazol-2-yl)thio)acetyl-2-pyrrolidinedicarboxamide, TCS 1102, TCS1102, TCS 1102, 916141-36-1, TCS1102, CHEMBL429848, TCS-1102, (2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide, YSBGRVXJEMSEQY-DEOSSOPVSA-N, GTPL9304, SCHEMBL2707045, KS-00001CTU, EX-A281, N-[1,1'-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide, 4089AH, BDBM50374441, MFCD18086894, ZINC29128227, AKOS024457815, CS-1923, NCGC00370975-03, BC600531, HY-10900, TCS-1102, >=98% (HPLC), N-(1,1-biphenyl-2-yl)-1-{[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl}-L-prolinamide, N-biphenyl-2-yl-1-{[(1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetyl}-l-prolinamide, (2S)-1-{2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetyl}-N-(2-phenylphenyl)pyrrolidine-2-carboxamide, (S)-N-(Biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide, 2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl]-,(2S)-, N-[1,1-Biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl-2-pyrrolidinedicarboxamide, C27H26N4O2S, ACN-046719, CID11960895, B1044, A13439, (2S)-1-[2-(1-methylbenzoimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide, 2-Pyrrolidinecarboxamide, N-[1,1'-biphenyl]-2-yl-1-[2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl]-, (2S)-,

Complexity	715
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	470.178g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	470.591g/mol
Monoisotopic Mass	470.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	92.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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