AG0036HF

77215-55-5 | (S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester

AG0036HF

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CAS Number	77215-55-5
Catalog Number	AG0036HF(AGN-PC-0UB9ME)
Chemical Name	(S)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
IUPAC Name	tert-butyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate
InChI	InChI=1S/C15H22N2O4/c1-15(2,3)21-13(18)12(9-16)17-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,19)/t12-/m0/s1
InChI Key	GUTOOFAUODQZRP-LBPRGKRZSA-N
MDL Number	MFCD09991588
Molecular Formula	C15H22N2O4
Molecular Weight	294.3462
SMILES	NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1
Synonyms	77215-55-5, (s)-3-amino-2-cbz-amino-propionic acid tert-butyl ester, (S)-tert-Butyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate, (S)-3-Amino-2-Cbz-aminopropionicacidtertbutylester, SCHEMBL2955816, DTXSID90445183, GUTOOFAUODQZRP-LBPRGKRZSA-N, BBL102367, MFCD09991588, STL556168, ZINC16696906, AKOS017342950, MB08347, AJ-69193, DS-11777, AB0074001, AX8048816, A9778, CS-0046997, FT-0682407, X-3885, (S)-tert-butyl 3-amino-2-(benzyloxycarbonyl)propanoate, t-butyl(2s)-n-benzyloxycarbonyl-2,3-diamino-propionate, tert-butyl 3-amino-N-[(benzyloxy)carbonyl]-L-alaninate, tert-butyl(s)-3-amino-2-benzyloxycarbonylaminopropionate, tert-butyl (2S)-2-benzyloxycarbonylamino-3-amino-propionate, tert-butyl (2s)-2-benzyloxycarbonylamino-3-aminopropionate, tert-butyl (S)-3-amino-2-benzyloxycarbonylaminopropionate, tert-Butyl (2S)-3-amino-2-(benzyloxycarbonylamino)propanoate, tert-butyl (2S)-3-amino-2-[benzyloxycarbonylamino]propionate, (1,1-dimethylethyl) 3-amino-N-[(phenylmethoxy)carbonyl]alaninate, (1,1-dimethylethyl)-3-amino-N-[(phenylmethoxy)carbonyl]alaninate, (1,1-dimethylethyl)3-amino-N-[(phenylmethoxy)carbonyl]alaninate, tert-butyl (2S)-3-amino-2-{[(benzyloxy)carbonyl]amino}propanoate, TERT-BUTYL (2S)-3-AMINO-2-BENZYLOXYCARBONYLAMINOPROPIONATE, tert-Butyl (S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoate, (1,1-dimethyl ethyl) 3-amino-N-[(phenylmethoxy)carbonyl]-L-alaninate, (2S)-3-amino-2-benzyloxycarbonylamino-propionic acid tert-butyl ester, (S)-3-AMINO-2-BENZYLOXYCARBONYLAMINO-PROPIONIC ACID TERT-BUTYL ESTER, CID10803731, (S)-3-Amino-2-Cbz-aminopropionic acid tertbutyl ester, (S)-3-Amino-2-Cbz-aminopropionic acid tert-butyl ester, -3-AMINO-2-CBZ-AMINO-PROPIONICACIDTERT-BUTYLESTER, Tert-butyl (2S)-3-amino-2-phenylmethoxycarbonylamino-propanoate,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	294.158g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	294.351g/mol
Monoisotopic Mass	294.158g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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