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

Systemtic Name: 2-azanyl-N-[1-[4-[2-[(2-azanyl-3-methyl-butanoyl)amino]nonadecanoyl]phenyl]-1-oxidanylidene-nonadecan-2-yl]-3-methyl-butanamide Openeye Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methyl-butanoyl)amino]nonadecanoyl]benzoyl]octadecyl]-3-methyl-butanamide CAS Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxononadecyl]phenyl]-1-oxononadecan-2-yl]-3-methylbutanamide IUPAC Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methylbutanoyl)amino]nonadecanoyl]phenyl]-1-oxononadecan-2-yl]-3-methylbutanamide Traditional Name: 2-amino-N-[1-[4-[2-[(2-amino-3-methyl-butanoyl)amino]nonadecanoyl]benzoyl]octadecyl]-3-methyl-butyramide Formula: C54H98N4O4 MolecularWeight: 867.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)C(CCCCCCCCCCCCCCCCC)NC(=O)C(C(C)C)N)NC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)C(CCCCCCCCCCCCCCCCC)NC(=O)C(C(C)C)N)NC(=O)C(C(C)C)N

InChI

InChI=1S/C54H98N4O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(57-53(61)49(55)43(3)4)51(59)45-39-41-46(42-40-45)52(60)48(58-54(62)50(56)44(5)6)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h39-44,47-50H,7-38,55-56H2,1-6H3,(H,57,61)(H,58,62)