(2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butyrate Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(CC1=CNC2=CC=CC=C21)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CNC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1