(2S)-2-azaniumyl-5-[[(2R)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-[[(2R)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[[(1R)-1-(1H-indol-3-ylmethyl)-2-oxido-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[[(2R)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-oxido-ethyl]amino]-5-keto-valerate Formula: C16H18N3O5- MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/p-1/t11-,13+/m0/s1