4-azanyl-3-[[3-azanyl-2-[2,3-bis(hexadecanoylamino)propanoylamino]propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-[[3-azanyl-2-[2,3-bis(hexadecanoylamino)propanoylamino]propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-[[3-amino-2-[2,3-bis(hexadecanoylamino)propanoylamino]propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-3-[[3-amino-1-oxo-2-[[1-oxo-2,3-bis(1-oxohexadecylamino)propyl]amino]propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-3-[[3-amino-2-[2,3-bis(hexadecanoylamino)propanoylamino]propanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-3-[[3-amino-2-(2,3-dipalmitamidopropanoylamino)propanoyl]amino]-4-keto-butyric acid Formula: C42H80N6O7 MolecularWeight: 781.1206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC(C(=O)NC(CN)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC(C(=O)NC(CN)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H80N6O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(49)45-33-36(42(55)48-35(32-43)41(54)47-34(40(44)53)31-39(51)52)46-38(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-36H,3-33,43H2,1-2H3,(H2,44,53)(H,45,49)(H,46,50)(H,47,54)(H,48,55)(H,51,52)