AG00IJRG

960374-59-8 | (2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[(2S)-2-[2-(morpholin-4-yl)acetamido]propanamido]propanamide

AG00IJRG

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CAS Number	960374-59-8
Catalog Number	AG00IJRG(AGN-PC-0WAEX0)
Chemical Name	(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[(2S)-2-[2-(morpholin-4-yl)acetamido]propanamido]propanamide
IUPAC Name	(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
InChI	InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
InChI Key	WQAVPPWWLLVGFK-VTNASVEKSA-N
MDL Number	MFCD26794217
Molecular Formula	C31H40N4O7
Molecular Weight	580.6719
SMILES	O=C(N[C@@H](CC1=CC=CC=C1)C([C@]2(C)OC2)=O)[C@@H](NC([C@@H](NC(CN3CCOCC3)=O)C)=O)CC4=CC=C(OC)C=C4
Synonyms	(S)-3-(4-methoxyphenyl)-N-((S)-1-((S)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanamide, ONX 0914, PR-957, ONX-0914, 960374-59-8, PR 957, CHEMBL3237875, ONX-0914 (PR-957), PR-957, ONX 0914, (S)-3-(4-methoxyphenyl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanamide, ONX0914, GTPL9031, SCHEMBL8107216, EX-A459, C31H40N4O7, PR957, (2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide, AOB87169, BCP07652, KS-00000XP8, BDBM50007203, MFCD26794217, ZINC43207593, AKOS025404933, CS-1625, AS-35161, BC283091, HY-13207, SC-84030, FT-0700514, Y1243, A12653, S-7830, (2S)-3-(4-METHOXYPHENYL)-N-[(2S)-1-[(2R)-2-METHYLOXIRAN-2-YL]-1-OXO-3-PHENYLPROPAN-2-YL]-2-[(2S)-2-[2-(MORPHOLIN-4-YL)ACETAMIDO]PROPANAMIDO]PROPANAMIDE, (2S)-N-[(1S)-1-benzyl-2-[(2R)-2-methyloxiran-2-yl]-2-oxo-ethyl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholinoacetyl)amino]propanoyl]amino]propanamide, JNJ-7777120,

Complexity	928
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	580.29g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	580.682g/mol
Monoisotopic Mass	580.29g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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