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

Systemtic Name: methyl (2S,3R)-3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-methyl-2-oxidanyl-hexanoate Openeye Name: methyl (2S,3R)-2-hydroxy-3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-methyl-hexanoate CAS Name: (2S,3R)-2-hydroxy-3-[[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-hydroxy-3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (2S,3R)-2-hydroxy-3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-12(2)9-15(18(25)21(28)29-4)19(26)24-17(20(27)22-3)10-13-11-23-16-8-6-5-7-14(13)16/h5-8,11-12,15,17-18,23,25H,9-10H2,1-4H3,(H,22,27)(H,24,26)/t15-,17+,18+/m1/s1