AG002RID

26049-94-5 | Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester

AG002RID

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CAS Number	26049-94-5
Catalog Number	AG002RID(AGN-PC-0R1X54)
Chemical Name	Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester
EC Number	247-432-8
IUPAC Name	benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
InChI	InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChI Key	OYHLRJGDELITAF-INIZCTEOSA-N
MDL Number	MFCD00037114
Molecular Formula	C18H18ClNO3
Molecular Weight	331.7934
SMILES	O=C([C@H](CC1=CC=CC=C1)NC(OCC2=CC=CC=C2)=O)CCl
Synonyms	benzyloxycarbonylphenylalanine chloromethyl ketone, ZPCK, ZPCK, Z-L-Phe chloromethyl ketone, 26049-94-5, Z-Phe-chloromethylketone, L-Carbobenzyloxyphenylalanyl chloromethyl ketone, NSC 251810, (S)-Benzyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, CHEMBL303579, OYHLRJGDELITAF-INIZCTEOSA-N, N-Carbobenzoxy-L-phenylalanyl-chloromethyl ketone, Benzyl ((1S)-3-chloro-2-oxo-1-benzylpropyl)carbamate, 1-BENZYLOXYCARBONYLAMINOPHENETHYL CHLOROMETHYL KETONE, Carbamic acid, [(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester, Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester, Z-Phe-CMK, N-((Benzyloxy)carbonyl)-L-phenylalanine chloromethyl ketone, Carbamic acid, ((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester, Carbamic acid, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester, EINECS 247-432-8, PubChem11552, N(.alpha.)-Benzyloxycarbonylphenylalanylchloromethane, Spectrum2_001493, Spectrum3_001809, Lopac-C-9511, N-(Benzyloxycarbonyl)-L-phenylalanine chloromethyl ketone, Lopac0_000290, N(alpha)-Benzyloxycarbonylphenylalanylchloromethane, BSPBio_003397, benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate, L-(.alpha.-(Chloroacetyl)phenethyl)carbamic acid, benzyl ester, MLS002153274, SPBio_001505, SCHEMBL4980616, KBio3_002900, HMS2235O11, HMS3260J22, L-(alpha-(Chloroacetyl)phenethyl)carbamic acid, benzyl ester, AC1L4111, Z-L-Phe chloromethyl ketone, 98%, ZINC1583409, Tox21_500290, BDBM50085339, CCG-39201, MFCD00037114, AKOS015888878, LP00290, ACM26049945, Carbamic acid, [3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester, (S)-, NCGC00015284-01, NCGC00093742-01, NCGC00093742-02, NCGC00093742-03, NCGC00093742-04, NCGC00260975-01, AK326229, AS-35328, SMR001230710, benzyloxycarbonyl-phenylalanyl chloromethane, EU-0100290, FT-0603934, Z5790, C 9511, K-6751, SR-01000075792, 1-benzyloxycarbonylaminophenethyl chloromethyl ketone, SR-01000075792-1, (S)-Benzyl (1-benzyl-3-chloro-2-oxopropyl)carbamate, [N-(benzyloxycarbonyl)-L-phenylalanyl]methyl chloride, I01-16727, (3S)-3-benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone, benzyl N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]carbamate, N-Carbobenzyloxy-L-phenylalanyl chloromethyl ketone; ZPCK, ((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid benzyl ester, Carbamic acid, (.alpha.-(chloroacetyl)phenethyl)-, benzyl ester, L-, Carbamic acid, (3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester, (S)- (9CI), CARBAMIC ACID,N-[(1S)-3-CHLORO-2-OXO-1-(PHENYLMETHYL)PROPYL]-, PHENYLMETHYL ESTER, Carbamic acid,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-,phenylmethyl ester, Z-L-Phe-Chloromethane, C18H18ClNO3, C18-H18-Cl-N-O3, CID99625, ACN-033489, CB10715, N-Carbobenzyloxy-L-phenylalanyl chloromethyl ketone, (S)-benzyl [1-benzyl-3-chloro-2-oxopropyl]carbamate, Benzyl [(1S)-3-chloro-2-oxo-1-benzylpropyl]carbamate, Phenylmethyl N-[(2s)-4-Chloro-3-Oxo-1-Phenyl-Butan-2-Yl]carbamate, Carbamic acid, (3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester, (S)-,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	331.098g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	331.796g/mol
Monoisotopic Mass	331.098g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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