2-azanyl-4-methylidene-6-[[(4R)-4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-azanyl-4-methylidene-6-[[(4R)-4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[(4R)-5-hydroxy-4-(octadecanoylamino)-5-oxo-pentanoyl]amino]-4-methylene-heptanedioic acid CAS Name: 2-amino-6-[[(4R)-5-hydroxy-1,5-dioxo-4-(1-oxooctadecylamino)pentyl]amino]-4-methyleneheptanedioic acid IUPAC Name: 2-amino-6-[[(4R)-5-hydroxy-4-(octadecanoylamino)-5-oxopentanoyl]amino]-4-methylideneheptanedioic acid Traditional Name: 2-amino-6-[[(4R)-5-hydroxy-5-keto-4-stearamido-pentanoyl]amino]-4-methylene-pimelic acid Formula: C31H55N3O8 MolecularWeight: 597.7837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CC(=C)CC(C(=O)O)N)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CC(=C)CC(C(=O)O)N)C(=O)O)C(=O)O

InChI

InChI=1S/C31H55N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)33-25(30(39)40)19-20-28(36)34-26(31(41)42)22-23(2)21-24(32)29(37)38/h24-26H,2-22,32H2,1H3,(H,33,35)(H,34,36)(H,37,38)(H,39,40)(H,41,42)/t24?,25-,26?/m1/s1