(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butyramide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CSCC[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C16H22N4O2S/c1-23-7-6-14(15(18)21)20-16(22)12(17)8-10-9-19-13-5-3-2-4-11(10)13/h2-5,9,12,14,19H,6-8,17H2,1H3,(H2,18,21)(H,20,22)/t12-,14-/m0/s1