2-azanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfanyl-butanamide; 2,3-bis(oxidanyl)butanedioate

Systemtic Name: 2-azanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfanyl-butanamide; 2,3-bis(oxidanyl)butanedioate Openeye Name: 2-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfanyl-butanamide; 2,3-dihydroxybutanedioate CAS Name: 2-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(methylthio)butanamide; 2,3-dihydroxybutanedioate IUPAC Name: 2-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide; 2,3-dihydroxybutanedioate Traditional Name: 2-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(methylthio)butyramide tartrate Formula: C20H27N3O8S-2 MolecularWeight: 469.50868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=O)C(CCSC)N.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)C(CCSC)N.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C16H23N3O2S.C4H6O6/c1-21-12-3-4-15-13(9-12)11(10-19-15)5-7-18-16(20)14(17)6-8-22-2;5-1(3(7)8)2(6)4(9)10/h3-4,9-10,14,19H,5-8,17H2,1-2H3,(H,18,20);1-2,5-6H,(H,7,8)(H,9,10)/p-2