AG002B3P

197855-65-5 | Carbamic acid, N-[(1S)-2-[(3-fluoro-1-methyl-2-oxopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester

AG002B3P

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CAS Number	197855-65-5
Catalog Number	AG002B3P(AGN-PC-05XF6H)
Chemical Name	Carbamic acid, N-[(1S)-2-[(3-fluoro-1-methyl-2-oxopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester
IUPAC Name	benzyl N-[(2S)-1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI	InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1
InChI Key	ASXVEBPEZMSPHB-PKHIMPSTSA-N
MDL Number	MFCD02684535
Molecular Formula	C21H23FN2O4
Molecular Weight	386.4167
SMILES	O=C(OCC1=CC=CC=C1)N[C@@H](CC2=CC=CC=C2)C(NC(C(CF)=O)C)=O
Synonyms	benzyloxycarbonyl-Phe-Ala-fluormethylketone, benzyloxycarbonylphenylalanyl-alanine fluoromethyl ketone, carbobenzoxy-L-phenylalanyl-(D,L)-alanyl fluoromethyl ketone, MDL 201053, MDL 201053, (R-(R*,S*))-isomer, MDL 201053, (S-(R*,R*))-isomer, MDL 201117, MDL-201053, MDL-201117, Z-FA-FMK, Z-Phe-Ala-CH2F, Z-Phe-Ala-FMK, Z-Phe-AlaCH2F, ZFA-fmk, Z-FA-FMK, 197855-65-5, Z-Phe-DL-Ala-fluoromethylketone, C21H23FN2O4, Carbamic acid, N-((1S)-2-((3-fluoro-1-methyl-2-oxopropyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-, phenylmethyl ester, Carbamic acid, N-[(1S)-2-[(3-fluoro-1-methyl-2-oxopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester, AC1OCD0O, Z-Fa-fmk, (DL-a)-, CHEMBL54797, SCHEMBL7301289, benzyl N-[(2S)-1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate, BCP10542, EX-A2188, 2818AH, MDL-201053, (DL-alanine)-, MFCD02684535, MDL-201000, NCGC00386330-01, BC600596, S7391, SW219108-1, Benzyloxycarbonyl-Phe-DL-Ala-fluoromethylketone, Benzyl ((2S)-1-((4-fluoro-3-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, benzyl (2S)-1-(4-fluoro-3-oxobutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate, benzyl N-[(1S)-1-[(4-fluoro-3-oxobutan-2-yl)carbamoyl]-2-phenylethyl]carbamate, Carbamic acid, (2-((3-fluoro-1-methyl-2-oxopropyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-, phenylmethyl ester, (1(S))-, Carbamic acid,N-[(1S)-2-[(3-fluoro-1-methyl-2-oxopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-,phenylmethyl ester, UNII-34O3P3306Z, 34O3P3306Z, CID6915837, MDL 201053,

Complexity	517
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	386.164g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	386.423g/mol
Monoisotopic Mass	386.164g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	84.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

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