(3S,5R)-5-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S,5R)-5-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide Openeye Name: (3S,5R)-5-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide CAS Name: (3S,5R)-5-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)-3-indolyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S,5R)-5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide Traditional Name: (3S,5R)-5-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]nipecotamide Formula: C30H45N5O4 MolecularWeight: 539.7094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CC(CNC1)C(=O)N(CC2=CN(C3=CC=CC=C32)CCCOC)C4CC4)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H]1C[C@@H](CNC1)C(=O)N(CC2=CN(C3=CC=CC=C32)CCCOC)C4CC4)NC(=O)C

InChI

InChI=1S/C30H45N5O4/c1-20(2)14-27(32-21(3)36)29(37)33-24-15-22(16-31-17-24)30(38)35(25-10-11-25)19-23-18-34(12-7-13-39-4)28-9-6-5-8-26(23)28/h5-6,8-9,18,20,22,24-25,27,31H,7,10-17,19H2,1-4H3,(H,32,36)(H,33,37)/t22-,24+,27-/m0/s1