4-[[2-(1H-indol-3-yl)-3-methoxy-3-oxidanylidene-propyl]amino]-4-oxidanylidene-3-(2-sulfanylethanoylamino)butanoic acid

Systemtic Name: 4-[[2-(1H-indol-3-yl)-3-methoxy-3-oxidanylidene-propyl]amino]-4-oxidanylidene-3-(2-sulfanylethanoylamino)butanoic acid Openeye Name: 4-[[2-(1H-indol-3-yl)-3-methoxy-3-oxo-propyl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid CAS Name: 4-[[2-(1H-indol-3-yl)-3-methoxy-3-oxopropyl]amino]-3-[(2-mercapto-1-oxoethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(1H-indol-3-yl)-3-methoxy-3-oxopropyl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid Traditional Name: 4-[[2-(1H-indol-3-yl)-3-keto-3-methoxy-propyl]amino]-4-keto-3-[(2-mercaptoacetyl)amino]butyric acid Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C(CC(=O)O)NC(=O)CS)C1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)C(CNC(=O)C(CC(=O)O)NC(=O)CS)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C18H21N3O6S/c1-27-18(26)12(11-7-19-13-5-3-2-4-10(11)13)8-20-17(25)14(6-16(23)24)21-15(22)9-28/h2-5,7,12,14,19,28H,6,8-9H2,1H3,(H,20,25)(H,21,22)(H,23,24)