AG01EQBG

Name: (2S)-2-[[(4-methylphenyl)sulfonyl]amino]-9,13-dioxo-14-phenyl-7-[[[[(2-phenylacetyl)oxy]methoxy]carbonyl]amino]-10,12-dioxa-6,8-diazatetradec-6-enoicacid,methylester
Brand: Angene Chemical
SKU: AG01EQBG

1362911-19-0 | (2S)-2-[[(4-methylphenyl)sulfonyl]amino]-9,13-dioxo-14-phenyl-7-[[[[(2-phenylacetyl)oxy]methoxy]carbonyl]amino]-10,12-dioxa-6,8-diazatetradec-6-enoicacid,methylester

Chemical structure of (2S)-2-[[(4-methylphenyl)sulfonyl]amino]-9,13-dioxo-14-phenyl-7-[[[[(2-phenylacetyl)oxy]methoxy]carbonyl]amino]-10,12-dioxa-6,8-diazatetradec-6-enoicacid,methylester, CAS 1362911-19-0

AG01EQBG

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CAS Number	1362911-19-0
Catalog Number	AG01EQBG(AGN-PC-3H4781)
Chemical Name	(2S)-2-[[(4-methylphenyl)sulfonyl]amino]-9,13-dioxo-14-phenyl-7-[[[[(2-phenylacetyl)oxy]methoxy]carbonyl]amino]-10,12-dioxa-6,8-diazatetradec-6-enoicacid,methylester
IUPAC Name	methyl (2S)-5-[bis[(2-phenylacetyl)oxymethoxycarbonylamino]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate
InChI	InChI=1S/C34H38N4O12S/c1-24-15-17-27(18-16-24)51(44,45)38-28(31(41)46-2)14-9-19-35-32(36-33(42)49-22-47-29(39)20-25-10-5-3-6-11-25)37-34(43)50-23-48-30(40)21-26-12-7-4-8-13-26/h3-8,10-13,15-18,28,38H,9,14,19-23H2,1-2H3,(H2,35,36,37,42,43)/t28-/m0/s1
InChI Key	MHYOVHULCQSDRZ-NDEPHWFRSA-N
MDL Number	MFCD12761252
Molecular Formula	C34H38N4O12S
Molecular Weight	726.7501
SMILES	S(N[C@@H](CCCN=C(NC(OCOC(CC1=CC=CC=C1)=O)=O)NC(OCOC(CC2=CC=CC=C2)=O)=O)C(OC)=O)(=O)(=O)C3=CC=C(C)C=C3
Synonyms	SCHEMBL15246920, (2S)-2-[[(4-methylphenyl)sulfonyl]amino]-9,13-dioxo-14-phenyl-7-[[[[(2-phenylacetyl)oxy]methoxy]carbonyl]amino]-10,12-dioxa-6,8-diazatetradec-6-enoicacid,methylester, 1362911-19-0,

Complexity	1210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	726.221g/mol
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	726.754g/mol
Monoisotopic Mass	726.221g/mol
Rotatable Bond Count	23
Topological Polar Surface Area	223A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited