(4S,5S)-2-ethyl-5-[[(2S)-2-[[2-(hydroxymethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoyl]amino]-7-methyl-N-(2-methylpropyl)-4-oxidanyl-octanamide

Systemtic Name: (4S,5S)-2-ethyl-5-[[(2S)-2-[[2-(hydroxymethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoyl]amino]-7-methyl-N-(2-methylpropyl)-4-oxidanyl-octanamide Openeye Name: (4S,5S)-2-ethyl-4-hydroxy-5-[[(2S)-2-[[2-(hydroxymethyl)-3-(1-naphthyl)propanoyl]amino]hexanoyl]amino]-N-isobutyl-7-methyl-octanamide CAS Name: (4S,5S)-2-ethyl-4-hydroxy-5-[[(2S)-2-[[2-(hydroxymethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-7-methyl-N-(2-methylpropyl)octanamide IUPAC Name: (4S,5S)-2-ethyl-4-hydroxy-5-[[(2S)-2-[[2-(hydroxymethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoyl]amino]-7-methyl-N-(2-methylpropyl)octanamide Traditional Name: (4S,5S)-2-ethyl-4-hydroxy-N-isobutyl-7-methyl-5-[[(2S)-2-[[2-methylol-3-(1-naphthyl)propanoyl]amino]hexanoyl]amino]caprylamide Formula: C35H55N3O5 MolecularWeight: 597.8283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(CC(CC)C(=O)NCC(C)C)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CO

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(CC)C(=O)NCC(C)C)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CO

InChI

InChI=1S/C35H55N3O5/c1-7-9-17-30(37-34(42)28(22-39)19-27-15-12-14-26-13-10-11-16-29(26)27)35(43)38-31(18-23(3)4)32(40)20-25(8-2)33(41)36-21-24(5)6/h10-16,23-25,28,30-32,39-40H,7-9,17-22H2,1-6H3,(H,36,41)(H,37,42)(H,38,43)/t25?,28?,30-,31-,32-/m0/s1