AG00I73R

35858-81-2 | L-Tryptophan, phenylmethyl ester, monohydrochloride

AG00I73R

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CAS Number	35858-81-2
Catalog Number	AG00I73R(AGN-PC-0RBBBS)
Chemical Name	L-Tryptophan, phenylmethyl ester, monohydrochloride
EC Number	252-765-7
IUPAC Name	benzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
InChI	InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m0./s1
InChI Key	DOKDMGOWZOTZRA-NTISSMGPSA-N
MDL Number	MFCD00058122
Molecular Formula	C18H19ClN2O2
Molecular Weight	330.8087
SMILES	O=C(OCC1=CC=CC=C1)[C@@H](N)CC2=CNC3=C2C=CC=C3.[H]Cl
Synonyms	35858-81-2, H-Trp-OBzl.HCl, L-tryptophan benzyl ester hydrochloride, H-TRP-OBZL HCL, Benzyl L-Tryptophanate Hydrochloride, (S)-Benzyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride, H-Trp-OBzl hydrochloride, H-Trp-OBzlHCl, MFCD00058122, J-300270, benzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride, Benzyl L-tryptophanate monohydrochloride, C18H18N2O2.HCl, Benzyl L-tryptophanate HCl, AK162699, Trp-OBzl.HCl, EINECS 252-765-7, H-Trp-OBzl?Cl, PubChem19055, H-L-Trp-OBzl hydrochloride, SCHEMBL3950971, CTK3J7585, KS-00000JBM, DOKDMGOWZOTZRA-NTISSMGPSA-N, tryptophan benzyl ester hydrochloride, H-Trp-OBzl hydrochloride, AldrichCPR, AKOS015924252, AM82286, CS-W006418, DS-7904, AX8020422, RT-003916, FT-0654091, ST24036263, K-8074, H-Trp-OBzl inverted exclamation mark currencyHCl, 858T812, C-46102, L-Tryptophan, phenylmethyl ester, monohydrochloride, BenzylL-tryptophanatehydrochloride, H-Trp-OBzl.HCl - 25G 25g, C18-H18-N2-O2.Cl-H, ACN-033645, Benzyl L-tryptophanate hydrochloride; L-Tryptophan benzyl ester hydrochloride,

Complexity	368
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	330.114g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	330.812g/mol
Monoisotopic Mass	330.114g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number