AG003SMH

82717-96-2 | (S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoic acid

AG003SMH

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CAS Number	82717-96-2
Catalog Number	AG003SMH(AGN-PC-0UMY7V)
Chemical Name	(S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoic acid
IUPAC Name	(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChI Key	CEIWXEQZZZHLDM-AAEUAGOBSA-N
MDL Number	MFCD00209976
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	C[C@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C(O)=O
UNII	10SZ4IJ77B
Synonyms	82717-96-2, (S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoic acid, N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine, UNII-10SZ4IJ77B, MFCD00209976, N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanine, N-[1-(S)-(Ethoxycarbonyl)-3-Phenylpropyl]-L-Alanine, 10SZ4IJ77B, N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine, N-[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine, (2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid, (+)-N-[1-(S)-Ethoxycarbonxyl-3-phenylpropyl]-L-alanine, (2S)-2-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}propanoic acid, (S,S)-N-(Ethoxy Carbonyl-3-Phenylpropyl)Alanine, N-[1(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanine, Enalapril EP Impurity B, N-(1-(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanine, (S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoic acid, (2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]propanoic Acid, (2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoic acid, 80828-26-8, AK-76568, Enalapril IMpurity B, AC1NWBKI, PubChem20772, N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-alanine, (S,S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)ALANINE, SCHEMBL497515, CTK5E9968, KS-00000AMS, CEIWXEQZZZHLDM-AAEUAGOBSA-N, ZINC2557974, ANW-37604, CE-036, SBB063223, AKOS015843325, AKOS015888218, AB04805, CS-W010059, Benzenebutanoic acid, alpha-((1-carboxyethyl)amino)-, monoethyl ester, (S-(theta,theta))-, AJ-40083, BR-76568, DS-16718, H563, SC-17772, AB0013122, AX8022763, TC-010254, TC-066484, E0530, FT-0629610, ST24020796, M-5282, N-[1(S)-carboethoxy-3-phenylpropyl]-(S)-alanine, J-502555, (S,S)-N-(1-Ethoxycarbonyl-3-phenylpropyl)-L-alanine, N-[(lS)-1-ethoxycarbonyl-3-phenylpropyl]-L-alanine, N-[1-(S)-ethoxy carbonyl-3-phenyl propyl]-L-alanine, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanine, N-[(S)-(+)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine, N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanine, (S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)-(S)-ALANIN, N-[(S)-(+)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine, 97%, (S)-2-[(S)-1-(ethoxycarbonyl)-3-phenylpropylamino]propanoic acid, N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine, 98%, (2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionic acid, a-[[(1S)-1-Carboxyethyl]amino]-benzenebutanoic acid 1-ethyl ester hydrochloride (1:1), Benzenebutanoic acid, a-[[(1S)-1-carboxyethyl]amino]-,1-ethyl ester, (aS)-, Moexipril Related Compound F, United States Pharmacopeia (USP) Reference Standard, C15-H21-N-O4, CID5702571, CS-O-08084, N-[ - -1- -3-phenylpropyl]-L-alanine, EC 406-310-6, (S-)-N-(1-Ethoxycarb.-3-phenylpropyl)-(S)-alanin, N-[(S)-1-Carboxyethyl]-L-homophenylalanine Ethyl Ester, 2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic Acid, (2S)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoic acid, (2S)-2-(((2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoic acid, (S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoicacid, Benzenebutanoic acid, ?-[(1-carboxyethyl)amino]-, monoethyl ester, [S-(R,R)]-, N-[(S)-( )-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine, 97% - 100G 100g,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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