4-[[2-(3,3-dinaphthalen-1-ylpropanoylamino)-3-methyl-butanoyl]amino]-6-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-3-oxidanyl-heptanamide

Systemtic Name: 4-[[2-(3,3-dinaphthalen-1-ylpropanoylamino)-3-methyl-butanoyl]amino]-6-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-3-oxidanyl-heptanamide Openeye Name: 4-[[2-[3,3-bis(1-naphthyl)propanoylamino]-3-methyl-butanoyl]amino]-3-hydroxy-N-[1-(hydroxymethyl)-2-methyl-butyl]-6-methyl-heptanamide CAS Name: 4-[[2-[[3,3-bis(1-naphthalenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-6-methylheptanamide IUPAC Name: 4-[[2-(3,3-dinaphthalen-1-ylpropanoylamino)-3-methylbutanoyl]amino]-3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-6-methylheptanamide Traditional Name: 4-[[2-[3,3-bis(1-naphthyl)propanoylamino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-N-(2-methyl-1-methylol-butyl)enanthamide Formula: C42H55N3O5 MolecularWeight: 681.9032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CCC(C)C(CO)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C42H55N3O5/c1-7-28(6)37(25-46)43-40(49)24-38(47)36(22-26(2)3)44-42(50)41(27(4)5)45-39(48)23-35(33-20-12-16-29-14-8-10-18-31(29)33)34-21-13-17-30-15-9-11-19-32(30)34/h8-21,26-28,35-38,41,46-47H,7,22-25H2,1-6H3,(H,43,49)(H,44,50)(H,45,48)