4-[[3,3-dimethyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]-2-(naphthalen-1-ylmethylamino)-3-oxidanyl-5-phenyl-pentanoic acid

Systemtic Name: 4-[[3,3-dimethyl-2-(2-naphthalen-1-ylethanoylamino)butanoyl]amino]-2-(naphthalen-1-ylmethylamino)-3-oxidanyl-5-phenyl-pentanoic acid Openeye Name: 4-[[3,3-dimethyl-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]-3-hydroxy-2-(1-naphthylmethylamino)-5-phenyl-pentanoic acid CAS Name: 4-[[3,3-dimethyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxobutyl]amino]-3-hydroxy-2-(1-naphthalenylmethylamino)-5-phenylpentanoic acid IUPAC Name: 4-[[3,3-dimethyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]-3-hydroxy-2-(naphthalen-1-ylmethylamino)-5-phenylpentanoic acid Traditional Name: 4-[[3,3-dimethyl-2-[[2-(1-naphthyl)acetyl]amino]butanoyl]amino]-3-hydroxy-2-(1-naphthylmethylamino)-5-phenyl-valeric acid Formula: C40H43N3O5 MolecularWeight: 645.78652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)O)NCC2=CC=CC3=CC=CC=C32)O)NC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)O)NCC2=CC=CC3=CC=CC=C32)O)NC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C40H43N3O5/c1-40(2,3)37(43-34(44)24-29-19-11-17-27-15-7-9-21-31(27)29)38(46)42-33(23-26-13-5-4-6-14-26)36(45)35(39(47)48)41-25-30-20-12-18-28-16-8-10-22-32(28)30/h4-22,33,35-37,41,45H,23-25H2,1-3H3,(H,42,46)(H,43,44)(H,47,48)