methyl (2S)-2-[[3-(2-azanyl-3-oxidanyl-propyl)-7-tert-butyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-(2-azanyl-3-oxidanyl-propyl)-7-tert-butyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[3-(2-amino-3-hydroxy-propyl)-7-tert-butyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(2-amino-3-hydroxypropyl)-7-tert-butyl-1H-indol-4-yl]-methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(2-amino-3-hydroxypropyl)-7-tert-butyl-1H-indol-4-yl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(2-amino-3-hydroxy-propyl)-7-tert-butyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butyric acid methyl ester Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(C)C1=C2C(=CNC2=C(C=C1)C(C)(C)C)CC(CO)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(C)C1=C2C(=CNC2=C(C=C1)C(C)(C)C)CC(CO)N

InChI

InChI=1S/C22H35N3O3/c1-13(2)20(21(27)28-7)25(6)17-9-8-16(22(3,4)5)19-18(17)14(11-24-19)10-15(23)12-26/h8-9,11,13,15,20,24,26H,10,12,23H2,1-7H3/t15?,20-/m0/s1