Free Chemical Databases
-
[Synonyms]
NSC117492
NSC174008
[Structure]
[ Properties Computed from Structure]
Molecular Weight 281.37056 [g/mol] Molecular Formula C14H19NO3S XLogP 2.4 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 6 Tautomer Count 2 Exact Mass 281.108564 MonoIsotopic Mass 281.108564 Topological Polar Surface Area 55.4 Heavy Atom Count 19 Formal Charge 0 Complexity 325 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: methyl 3-methyl-2-[(2-phenylacetyl)amino]-3-sulfanylbutanoate
Canonical SMILES: CC(C)(C(C(=O)OC)NC(=O)CC1=CC=CC=C1)S
InChI: InChI=1/C14H19NO3S/c1-14(2,
19)12(13(17)18-3)15-11(16)9-10-7-5-4-6-8-10/h4-8,12,19H,9H2,1-3H3,(H,15,
16)/f/h15H
Other Chemicals
- FC 402,LS-72492,N,N-Diethylglycine 2,6-xylyl ester hydrochloride,GLYCINE, N,N-DIETHYL-, 2,6-XYLYL ESTER, HYDRO
- IUPAC Name: 1-(8-dimethylamino-4-methoxy-5,6,7,,8-tetrahydronaphthalen-1-yl)-3-methylbutan-1-one,Canonical SMI
- LS-34852,N-Cyclohexyl-3,6-dihydroxy-2-benzofuranacetamide diacetate,2-BENZOFURANACETAMIDE, N-CYCLOHEXYL-3,6-DI
- IUPAC Name: 2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid,Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)
- IUPAC Name: methyl,(1R,2S,4aR,,8R)-7-[2-(2-dimethylaminoethoxy)-2-oxoethylidene]-2-hydroxy-1,4a,,8-trimethyl-9
- Gossypol acetate,NSC89309,AIDS125918,AIDS-125918,LS-43995,(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde,
- LS-14258,9-(2-Methoxy-4-(propylsulfonamido)anilino)-4-acridinecarboxamide hydrochloride,1-Propanesulfonanilide
- Trimethylene dichloride,Propane, 1,3-dichloro-,1,3-DICHLOROPROPANE ,R 270fa,WLN: G3G,1,3-Dichloropropane solut
- BRN 0269945,1-(p-Bromophenyl)-5,5-diethylbarbituric acid,LS-23869,4-24-00-01909 (Beilstein Handbook Reference)
- 6-Bromo-isatin,1H-Indole-2,3-dione, 6-bromo-,NSC30748,NSC 30748,ST5437186,TL8004403,6326-79-0,
- 4-(Methylthio)acetophenone,4'-Methylmercaptoacetophenone,396583_ALDRICH,Ethanone, 1-[4-(methylthio)phenyl]
- Trityl fluoride,Fluorotriphenylmethane,Triphenylmethyl fluoride,Fluoro-triphenylmethane,Methane, fluorotriphen
- LS-56486,1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-N'-(cyclohexyl)-, dihydrochloride, (E)-,trans
- LS-38838,11,12-Bis(acetyloxy)-5,6-dimethyl-2,3,8,9-tetramethoxybenzo(c)phenanthridinium perchlorate,11,12-Diac
- N-Acetylcysteinamide ,L-2-Acetamido-3-mercaptopropionamide,Propionamide, 2-acetamido-3-mercapto-, L-,LS-123997
- Trichlorosalicylanilide,Oprea1_377606,ZINC00988783,AE-848/32789054,Benzamide, 3,5-dichloro-N-(4-chlorophenyl)-
- BRN 4549556,LS-25094,3-(3-(4-(4-Methoxyphenyl)-1-piperazinyl)propoxy)benzaldehyde,BENZALDEHYDE, 3-(3-(4-(4-MET
- LS-10614,C 4910,2',6'-Dichloro-2-(2-(diethylamino)ethyl)thioacetanilide hydrochloride,ACETANILIDE, 2&#
- Chlorodiphenylacetic acid,chloro(diphenyl)acetic acid,NCIStruc1_000674,NCIStruc2_001221,NSC400464,EINECS 231-2
- BR 401 A,LS-23370,1-Methyl-1-(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)aziridinium bromide,AZIRIDINIUM, 1-METHYL-1-(
- Oprea1_693654,MLS000079762,STOCK1S-04130,NSC61085,EINECS 246-733-1,NSC130953,(1-Hydroxycyclopentyl)phenylaceti
- IUPAC Name: [2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium,Canonical SMILES: CCC(C)C(
- IUPAC Name: 4-ethanimidoyl-1-ethoxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one,Canonical SMILES: CCOC1=C2CCCCC2=C
- Mdo-cpt ,10,11-CH2O2-Camptothecin,10,11-Methylenedioxycamptothecin,NSC634724,AIDS005221,10,11-Methylenedioxy-c
- p-Acetoacetophenetidide, 2,2''-((2,2'-dichloro-4,4'-biphenylylene)bis(azo))bis-,20139-66-6,
- 2,4,5-Tribromo-alpha-methylstyrene,EINECS 261-389-2,58683-72-0,
- LS-39277,N,N-Diethyl-2H-1-benzopyran-3-methanamine hydrochloride,2H-1-BENZOPYRAN-3-METHANAMINE, N,N-DIETHYL-,
- IUPAC Name: N-heptan-2-ylidenehydroxylamine,Canonical SMILES: CCCCCC(=NO)C,InChI: InChI=1/C7H15NO/c1-3-4-5-6-7
- Phosgard C-22-R,Phosgard c-22R (monsanto),EINECS 224-417-4,CP 18851,LS-106505,1-(Bis(2-chloroethoxy)phosphinyl
- Temafloxacin ,Omniflox,Temafloxacine [French],Temafloxacinum [Latin],Temafloxacina [Spanish],(1)-Temafloxacin,