4-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-thioxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidenepropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidenepropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-thioxo-ethyl]amino]-4-keto-butyric acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)O

Isomeric SMILES

CNC(=S)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H19N3O3S/c1-17-16(23)13(19-14(20)6-7-15(21)22)8-10-9-18-12-5-3-2-4-11(10)12/h2-5,9,13,18H,6-8H2,1H3,(H,17,23)(H,19,20)(H,21,22)/t13-/m0/s1