(S)-Acetamidomethyl-l-penicillamine, Hydrochloric Acid Salt - CAS 1330286-48-0

Catalog:	BB075594
Product Name:	(S)-Acetamidomethyl-l-penicillamine, Hydrochloric Acid Salt
CAS:	1330286-48-0
Synonyms:	(S)-Acetamidomethyl-l-penicillamine, HCl; (S)-ACETAMIDOMETHYL-L-PENICILLAMINE HYDROCHLORIDE; (2S)-3-(acetamidomethylsulfanyl)-2-amino-3-methylbutanoic acid; hydrochloride; (S)-3-((Acetamidomethyl)thio)-2-amino-3-methylbutanoic acid hydrochloride; (S)-3-((Acetamidomethyl)thio)-2-amino-3-methylbutanoicacidhydrochloride; (2S)-2-AMINO-3-[(ACETAMIDOMETHYL)SULFANYL]-3-METHYLBUTANOIC ACID HYDROCHLORIDE

Technical Data

IUPAC Name:	(2S)-3-(acetamidomethylsulfanyl)-2-amino-3-methylbutanoic acidhydrochloride
Description:	(S)-Acetamidomethyl-l-penicillamine, HCl
Molecular Weight:	220.29 + (36.46)
Molecular Formula:	C8H16N2O3S·HCl
Canonical SMILES:	CC(=O)NCSC(C)(C)C(C(=O)O)N.Cl
InChI:	InChI=1S/C8H16N2O3S.ClH/c1-5(11)10-4-14-8(2,3)6(9)7(12)13/h6H,4,9H2,1-3H3,(H,10,11)(H,12,13)1H/t6-/m0./s1
InChI Key:	HMNWKDNSRCKPAN-RGMNGODLSA-N

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	256.0648413
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	256.0648413
Rotatable Bond Count:	5
Topological Polar Surface Area:	118Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0