AG0006OA

102123-74-0 | Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester

AG0006OA

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CAS Number	102123-74-0
Catalog Number	AG0006OA(AGN-PC-0OR97K)
Chemical Name	Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
InChI	InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChI Key	JAKDNFBATYIEIE-LBPRGKRZSA-N
MDL Number	MFCD11041198
Molecular Formula	C15H20ClNO3
Molecular Weight	297.7772
SMILES	ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Synonyms	102123-74-0, (3S)-3-(TERT-BUTOXYCARBONYL)AMINO-1-CHLORO-4-PHENYL-2-BUTANONE, (S)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, Boc-L-Phe chloromethyl ketone, (3S)-3-(N-Boc-amino)-1-chloro-4-phenyl-2-butanone, J-501274, AK-55332, PubChem11553, SCHEMBL638877, CTK4A0700, DTXSID40432942, Carbamic acid,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, JAKDNFBATYIEIE-LBPRGKRZSA-N, BCP08425, CS-B0125, ANW-58959, MFCD11041198, ZINC34031757, AC-8237, RL00106, AJ-86660, AT-15268, BC683728, DS-14730, SC-44871, AB0039186, AB1004601, AX8045318, TC-147704, FT-0603935, ST24036400, Y6611, 123B740, (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-pheny, (3S)-1-chloro-3-tert-butoxycarbonylamino-4-phenyl-2-butanone, (3S)-3-tert-butoxycarbonylamino -1-chloro-4-phenyl-2-butanone, (3S)-3-tert-butoxycarbonylamino-1 -chloro-4-phenyl-2-butanone, (3S)-3-tert-butoxycarbonylamino-1-chloro -4-phenyl-2-butanone, (3S)-3-tert-butoxycarbonylamino-1-chloro-4-phenyl-2-butanone, (S)-1-Chloro-3-(tert-butoxycarbonylamino)-4-phenyl-2-butanone, [1(S)-benzyl-2-oxo-3-chloropropyl]carbamic acid t-butyl ester, tert-Butyl [(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate, N-(t-butoxycarbonyl)-(3s)-3-amino-1-chloro-4-phenyl-2-butanone, tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate, N-(tert-butyloxycarbonyl)-(3S)-3-amino-1-chloro-4-phenyl-2-butanone, Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-Carbamic acid 1,1-dimethylethyl ester, H-Boc-Phe-CMK, C15H20ClNO3, ACN-026431, CB11101, CID9926241, (3S)-3-(N-BOC-AMINO)-CHLORO-4-PHENYL-2-BUTANONE, (S)-tert-butyl 4-chloro-3-oxo-1-phenylbutan-2-ylcarbamate, Tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	297.113g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	297.779g/mol
Monoisotopic Mass	297.113g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number