(2S)-2-[[(2S)-2-azaniumyl-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1