5-azanyl-2-[[3-methyl-2-(octadecylamino)butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[3-methyl-2-(octadecylamino)butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[3-methyl-2-(octadecylamino)butanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[3-methyl-2-(octadecylamino)-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[3-methyl-2-(octadecylamino)butanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[3-methyl-2-(stearylamino)butanoyl]amino]valeric acid Formula: C28H55N3O4 MolecularWeight: 497.754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C28H55N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-26(23(2)3)27(33)31-24(28(34)35)20-21-25(29)32/h23-24,26,30H,4-22H2,1-3H3,(H2,29,32)(H,31,33)(H,34,35)