methyl (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propionic acid methyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-11(2)16(17(22)19-3)21-15(18(23)24-4)9-12-10-20-14-8-6-5-7-13(12)14/h5-8,10-11,15-16,20-21H,9H2,1-4H3,(H,19,22)/t15-,16?/m0/s1