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(2S)-2-azanyl-N-methyl-4-methylsulfanyl-butanamide; ethanoic acid; hydrochloride

Systemtic Name:	(2S)-2-azanyl-N-methyl-4-methylsulfanyl-butanamide; ethanoic acid; hydrochloride
Openeye Name:	acetic acid; (2S)-2-amino-N-methyl-4-methylsulfanyl-butanamide; hydrochloride
CAS Name:	acetic acid; (2S)-2-amino-N-methyl-4-(methylthio)butanamide; hydrochloride
IUPAC Name:	acetic acid; (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide; hydrochloride
Traditional Name:	acetic acid; (2S)-2-amino-N-methyl-4-(methylthio)butyramide; hydrochloride
Formula:	C₈H₁₉ClN₂O₃S
MolecularWeight:	258.76606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CNC(=O)C(CCSC)N.Cl

Isomeric SMILES

CC(=O)O.CNC(=O)[C@H](CCSC)N.Cl

InChI

InChI=1S/C6H14N2OS.C2H4O2.ClH/c1-8-6(9)5(7)3-4-10-2;1-2(3)4;/h5H,3-4,7H2,1-2H3,(H,8,9);1H3,(H,3,4);1H/t5-;;/m0../s1

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tert-butyl N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-N-[(2S)-2-[2-[[(2R)-2-azanylpropanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]carbamate
(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanyl-butanoic acid
tert-butyl N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-N-[(2S)-2-azanyl-3-phenyl-propanoyl]carbamate
tert-butyl (3S)-3-azanyl-2-oxidanylidene-4-phenyl-butanoate
tert-butyl N-[(2R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]carbamate
tert-butyl N-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate
tert-butyl N-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoyl]-N-[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
tert-butyl N-[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]-N-(2-oxidanylideneethyl)carbamate
tert-butyl N-[(2R)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]carbamate