(4S)-4-azanyl-5-oxidanylidene-5-[(1-tridecanoylpiperidin-2-yl)methylamino]pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-oxidanylidene-5-[(1-tridecanoylpiperidin-2-yl)methylamino]pentanoic acid Openeye Name: (4S)-4-amino-5-oxo-5-[(1-tridecanoyl-2-piperidyl)methylamino]pentanoic acid CAS Name: (4S)-4-amino-5-oxo-5-[[1-(1-oxotridecyl)-2-piperidinyl]methylamino]pentanoic acid IUPAC Name: (4S)-4-amino-5-oxo-5-[(1-tridecanoylpiperidin-2-yl)methylamino]pentanoic acid Traditional Name: (4S)-4-amino-5-keto-5-[(1-tridecanoyl-2-piperidyl)methylamino]valeric acid Formula: C24H45N3O4 MolecularWeight: 439.6318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CCC(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C24H45N3O4/c1-2-3-4-5-6-7-8-9-10-11-15-22(28)27-18-13-12-14-20(27)19-26-24(31)21(25)16-17-23(29)30/h20-21H,2-19,25H2,1H3,(H,26,31)(H,29,30)/t20?,21-/m0/s1