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

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-(2-sulfanylethanoylamino)butanoic acid Openeye Name: 4-[[1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid CAS Name: 4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxoethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid Traditional Name: 4-[[1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]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(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)O)NC(=O)CS

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)O)NC(=O)CS

InChI

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