AG001SAK

161234-80-6 | H-Orn(Z)-OtBu HCl

AG001SAK

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CAS Number	161234-80-6
Catalog Number	AG001SAK(AGN-PC-0Q80KD)
Chemical Name	H-Orn(Z)-OtBu HCl
IUPAC Name	tert-butyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
InChI	InChI=1S/C17H26N2O4.ClH/c1-17(2,3)23-15(20)14(18)10-7-11-19-16(21)22-12-13-8-5-4-6-9-13;/h4-6,8-9,14H,7,10-12,18H2,1-3H3,(H,19,21);1H/t14-;/m0./s1
InChI Key	BJKHOAVMQNAYLC-UQKRIMTDSA-N
MDL Number	MFCD00237209
Molecular Formula	C17H27ClN2O4
Molecular Weight	358.8603
SMILES	O=C(OC(C)(C)C)[C@@H](N)CCCNC(OCC1=CC=CC=C1)=O.[H]Cl
Synonyms	161234-80-6, H-ORN(Z)-OTBU HCL, H-Orn(Z)-OtBu.HCl, (S)-tert-Butyl 2-amino-5-(((benzyloxy)carbonyl)amino)pentanoate hydrochloride, C17H27ClN2O4, AK-60217, H-Orn(Z)-OtBu . HCl, H-Orn(z)-OtBu hydrochloride, CTK8B7885, DTXSID40718551, KS-00000GE6, ANW-58863, MFCD00237209, AKOS015909488, L-Ornithine, N5-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1), DS-16385, AX8133783, RT-023565, ST24036423, V3612, K-5047, I14-33114, (S)-tert-Butyl 2-amino-5-(((benzyloxy)carbonyl)-amino)pentanoate hydrochloride, tert-Butyl N~5~-[(benzyloxy)carbonyl]-L-ornithinate--hydrogen chloride (1/1), BJKHOAVMQNAYLC-UQKRIMTDSA-N,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	358.166g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	358.863g/mol
Monoisotopic Mass	358.166g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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