AG01ENP1

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CAS Number	958772-66-2
Catalog Number	AG01ENP1(AGN-PC-0WAI9N)
Chemical Name	SID 26681509
IUPAC Name	tert-butyl N-[(2S)-1-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylcarbonylhydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
InChI	InChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m0/s1
InChI Key	OTIWAYTTYNFEKL-QFIPXVFZSA-N
MDL Number	MFCD16875433
Molecular Formula	C27H33N5O5S
Molecular Weight	539.6464
SMILES	C(NNC(SCC(NC1=CC=CC=C1CC)=O)=O)(=O)[C@H](CC1C2C(=CC=CC=2)NC=1)NC(OC(C)(C)C)=O
Synonyms	SID 26681509, SID 26681509, CHEMBL259450, 958772-66-2, N-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan-2-[[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]carbonyl]hydrazide, BDBM50374666, ZINC29050413, AKOS024457720, PC-0626568, A4424,

Complexity	835
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	539.22g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	539.651g/mol
Monoisotopic Mass	539.22g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	167A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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