2-azanyl-N-[1-[4-[2-[(2-azanyl-3-methyl-butanoyl)amino]tridecanoyl]phenyl]-1-oxidanylidene-tridecan-2-yl]-3-methyl-butanamide

Systemtic Name: 2-azanyl-N-[1-[4-[2-[(2-azanyl-3-methyl-butanoyl)amino]tridecanoyl]phenyl]-1-oxidanylidene-tridecan-2-yl]-3-methyl-butanamide Openeye Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methyl-butanoyl)amino]tridecanoyl]benzoyl]dodecyl]-3-methyl-butanamide CAS Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxotridecyl]phenyl]-1-oxotridecan-2-yl]-3-methylbutanamide IUPAC Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methylbutanoyl)amino]tridecanoyl]phenyl]-1-oxotridecan-2-yl]-3-methylbutanamide Traditional Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methyl-butanoyl)amino]tridecanoyl]benzoyl]dodecyl]-3-methyl-butyramide Formula: C42H74N4O4 MolecularWeight: 699.06136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)C(CCCCCCCCCCC)NC(=O)C(C(C)C)N)NC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)C(CCCCCCCCCCC)NC(=O)C(C(C)C)N)NC(=O)C(C(C)C)N

InChI

InChI=1S/C42H74N4O4/c1-7-9-11-13-15-17-19-21-23-25-35(45-41(49)37(43)31(3)4)39(47)33-27-29-34(30-28-33)40(48)36(46-42(50)38(44)32(5)6)26-24-22-20-18-16-14-12-10-8-2/h27-32,35-38H,7-26,43-44H2,1-6H3,(H,45,49)(H,46,50)