AG00ECSF

58117-53-6 | benzyl (S)-(5,6-diamino-6-oxohexyl)carbamate monohydrochloride

AG00ECSF

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CAS Number	58117-53-6
Catalog Number	AG00ECSF(AGN-PC-0SP43O)
Chemical Name	benzyl (S)-(5,6-diamino-6-oxohexyl)carbamate monohydrochloride
EC Number	261-136-6
IUPAC Name	benzyl N-[(5S)-5,6-diamino-6-oxohexyl]carbamate;hydrochloride
InChI	InChI=1S/C14H21N3O3.ClH/c15-12(13(16)18)8-4-5-9-17-14(19)20-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19);1H/t12-;/m0./s1
InChI Key	QSRGTPRDCDSKAY-YDALLXLXSA-N
MDL Number	MFCD00035520
Molecular Formula	C14H22ClN3O3
Molecular Weight	315.7958
SMILES	O=C(OCC1=CC=CC=C1)NCCCC[C@H](N)C(N)=O.[H]Cl
Synonyms	H-Lys(Z)-NH2.HCl, 58117-53-6, H-LYS(Z)-NH2 HCL, Benzyl (S)-(5,6-diamino-6-oxohexyl)carbamate monohydrochloride, MFCD00035520, Nepsilon-Z-L-lysine amide hydrochloride, AK170119, EINECS 261-136-6, H-Lys(Z)-NH2Cl, H-Lys(Z)-NH2 hydrochloride, AC1O57P9, SCHEMBL3180697, CTK8B3902, KS-00000JIO, DTXSID20206840, QSRGTPRDCDSKAY-YDALLXLXSA-N, ANW-43410, CH-329, KM0169, AKOS025289393, DS-9757, V6754, A831746, (S)-2-amino-6-(benzyloxycarbonylamino)hexanamide hydrochloride, benzyl N-[(5S)-5,6-diamino-6-oxohexyl]carbamate hydrochloride, benzyl N-[(5S)-5,6-diamino-6-oxohexyl]carbamate;hydrochloride, (phenylmethyl) N-[(5S)-5,6-bis(azanyl)-6-oxidanylidene-hexyl]carbamate hydrochloride, N-[(5S)-5,6-diamino-6-oxohexyl]carbamic acid (phenylmethyl) ester hydrochloride, C14H21N3O3.HCl, C14-H21-N3-O3.Cl-H, CID6453579, Carbamic acid, [(5S)-5,6-diamino-6-oxohexyl]-, phenylmethyl ester, monohydrochloride (9CI); Carbamic acid, (5,6-diamino-6-oxohexyl)-, phenylmethyl ester, monohydrochloride,,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	315.135g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	315.798g/mol
Monoisotopic Mass	315.135g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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