5-ethoxy-2-(1H-indol-3-ylmethyl)-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-ethoxy-2-(1H-indol-3-ylmethyl)-2-(2-methylpropylcarbamoylamino)-4-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-ethoxy-4-hydroxy-2-(1H-indol-3-ylmethyl)-2-(isobutylcarbamoylamino)-5-oxo-pentanoic acid CAS Name: 5-ethoxy-4-hydroxy-2-(1H-indol-3-ylmethyl)-2-[[(2-methylpropylamino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-ethoxy-4-hydroxy-2-(1H-indol-3-ylmethyl)-2-(2-methylpropylcarbamoylamino)-5-oxopentanoic acid Traditional Name: 5-ethoxy-4-hydroxy-2-(1H-indol-3-ylmethyl)-2-(isobutylcarbamoylamino)-5-keto-valeric acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)NCC(C)C)O

Isomeric SMILES

CCOC(=O)C(CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)NCC(C)C)O

InChI

InChI=1S/C21H29N3O6/c1-4-30-18(26)17(25)10-21(19(27)28,24-20(29)23-11-13(2)3)9-14-12-22-16-8-6-5-7-15(14)16/h5-8,12-13,17,22,25H,4,9-11H2,1-3H3,(H,27,28)(H2,23,24,29)