AG00I8GN

4474-86-6 | D-Asparagine, N2-[(phenylmethoxy)carbonyl]-

AG00I8GN

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CAS Number	4474-86-6
Catalog Number	AG00I8GN(AGN-PC-0OAHDC)
Chemical Name	D-Asparagine, N2-[(phenylmethoxy)carbonyl]-
IUPAC Name	(2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1
InChI Key	FUCKRCGERFLLHP-SECBINFHSA-N
MDL Number	MFCD00065696
Molecular Formula	C12H14N2O5
Molecular Weight	266.2500
SMILES	O=C(N)C[C@H](C(O)=O)NC(OCC1=CC=CC=C1)=O
Synonyms	N-Cbz-D-Asparagine, 4474-86-6, Z-D-Asn-OH, Nalpha-Cbz-D-asparagine, N-CARBOBENZOXY-D-ASPARAGINE, D-Asparagine, N2-[(phenylmethoxy)carbonyl]-, FUCKRCGERFLLHP-SECBINFHSA-N, CBZ D-Asparagine, MFCD00065696, C-2105, J-300052, (2R)-2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid, (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid, Cbz-D-Asn-OH, Carbobenzoxy-L-asparagine, (2R)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanoic acid, Z-D-asparagine, AK-41794, PubChem13522, AC1LVUO1, N-CBZ-D-ASN-OH, SCHEMBL3569541, Nalpha-Carbobenzoxy-D-asparagine, CTK8B3844, FUCKRCGERFLLHP-SECBINFHSA-, DTXSID30364824, s133, ACT04993, ZINC2022596, ANW-43292, SBB037934, AKOS016842396, Nalpha -Benzyloxycarbonyl-D-asparagine, AB02655, FCH5219577, VZ36521, AJ-32784, AS-16060, BBV-57298174, BR-41794, CC-32609, ST085652, 2(R)-benzyloxycarbonylamino-succinamic acid, AB0006525, AB1003262, AX8020861, TR-030987, FT-0629779, ST24031396, S-2782, 474Z866, A826678, C-25123, (2R)-4-Amino-2-(benzyloxycarbonylamino)-4-oxo-butanoic acid, (R)-4-amino-2-[[(benzyloxy)carbonyl]amino]-4-oxobutanoic acid, (R)-4-AMINO-2-(BENZYLOXYCARBONYLAMINO)-4-OXOBUTANOIC ACID, (2R)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid, InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1, CBZ asparagine, N-alpha-Z-D-asparagine, Benzyloxycarbonyl-D-asparagine, C12H14N2O5, N-CARBOBENZYLOXY-D-ASPARAGINE, c0666, ACN-033032, CID1712147, (R)-2-Benzyloxycarbonylamino-succinamic acid, 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid, 2304-96-3,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	266.09g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	266.253g/mol
Monoisotopic Mass	266.09g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number