methyl 3-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoate

Systemtic Name: methyl 3-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoate Openeye Name: methyl 3-[[(1R)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-methyl-hexanoate CAS Name: 3-[[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: 3-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CC(C)CC(CC(=O)OC)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C21H29N3O4/c1-13(2)9-14(11-19(25)28-4)20(26)24-18(21(27)22-3)10-15-12-23-17-8-6-5-7-16(15)17/h5-8,12-14,18,23H,9-11H2,1-4H3,(H,22,27)(H,24,26)/t14?,18-/m1/s1