(3R)-5-(1H-indol-3-yl)-3-[2-(4-piperidin-4-ylbutanoylamino)ethanoylamino]pentanoic acid

Systemtic Name: (3R)-5-(1H-indol-3-yl)-3-[2-(4-piperidin-4-ylbutanoylamino)ethanoylamino]pentanoic acid Openeye Name: (3R)-5-(1H-indol-3-yl)-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]pentanoic acid CAS Name: (3R)-5-(1H-indol-3-yl)-3-[[1-oxo-2-[[1-oxo-4-(4-piperidinyl)butyl]amino]ethyl]amino]pentanoic acid IUPAC Name: (3R)-5-(1H-indol-3-yl)-3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]pentanoic acid Traditional Name: (3R)-5-(1H-indol-3-yl)-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]valeric acid Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCC(=O)NCC(=O)NC(CCC2=CNC3=CC=CC=C32)CC(=O)O

Isomeric SMILES

C1CNCCC1CCCC(=O)NCC(=O)N[C@H](CCC2=CNC3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C24H34N4O4/c29-22(7-3-4-17-10-12-25-13-11-17)27-16-23(30)28-19(14-24(31)32)9-8-18-15-26-21-6-2-1-5-20(18)21/h1-2,5-6,15,17,19,25-26H,3-4,7-14,16H2,(H,27,29)(H,28,30)(H,31,32)/t19-/m1/s1