2-[[(2S)-2-(2-azaniumylethanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-(2-azaniumylethanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[(2-ammonioacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetate Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)[O-])NC(=O)C[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)[O-])NC(=O)C[NH3+]

InChI

InChI=1S/C15H18N4O4/c16-6-13(20)19-12(15(23)18-8-14(21)22)5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,12,17H,5-6,8,16H2,(H,18,23)(H,19,20)(H,21,22)/t12-/m0/s1