6-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-7-[2-[[3-naphthalen-1-yl-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoylamino]-3-oxidanyl-heptanamide

Systemtic Name: 6-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-7-[2-[[3-naphthalen-1-yl-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoylamino]-3-oxidanyl-heptanamide Openeye Name: 3-hydroxy-N-[1-(hydroxymethyl)-2-methyl-butyl]-6-methyl-7-[2-[[3-(1-naphthyl)-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoylamino]heptanamide CAS Name: 3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-6-methyl-7-[[2-[[3-(1-naphthalenyl)-1-oxo-2-[(1-oxo-4-phenylbutyl)amino]propyl]amino]-1-oxohexyl]amino]heptanamide IUPAC Name: 3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-6-methyl-7-[2-[[3-naphthalen-1-yl-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoylamino]heptanamide Traditional Name: 3-hydroxy-6-methyl-N-(2-methyl-1-methylol-butyl)-7-[2-[[3-(1-naphthyl)-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoylamino]enanthamide Formula: C43H62N4O6 MolecularWeight: 730.97558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC(C)CCC(CC(=O)NC(CO)C(C)CC)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)NCC(C)CCC(CC(=O)NC(CO)C(C)CC)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C43H62N4O6/c1-5-7-22-37(42(52)44-28-30(3)24-25-35(49)27-41(51)46-39(29-48)31(4)6-2)47-43(53)38(26-34-20-14-19-33-18-11-12-21-36(33)34)45-40(50)23-13-17-32-15-9-8-10-16-32/h8-12,14-16,18-21,30-31,35,37-39,48-49H,5-7,13,17,22-29H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)(H,47,53)