4-azanyl-2-butyl-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-3-oxidanylidene-hexanedioic acid

Systemtic Name: 4-azanyl-2-butyl-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-3-oxidanylidene-hexanedioic acid Openeye Name: 4-amino-2-butyl-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-3-oxo-hexanedioic acid CAS Name: 4-amino-2-butyl-2-[[2-(ethylamino)-1-oxoethyl]-[1-oxo-4-(4-piperidinyl)butyl]amino]-3-oxohexanedioic acid IUPAC Name: 4-amino-2-butyl-2-[[2-(ethylamino)acetyl]-(4-piperidin-4-ylbutanoyl)amino]-3-oxohexanedioic acid Traditional Name: 4-amino-2-butyl-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-3-keto-adipic acid Formula: C23H40N4O7 MolecularWeight: 484.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CC(=O)O)N)(C(=O)O)N(C(=O)CCCC1CCNCC1)C(=O)CNCC

Isomeric SMILES

CCCCC(C(=O)C(CC(=O)O)N)(C(=O)O)N(C(=O)CCCC1CCNCC1)C(=O)CNCC

InChI

InChI=1S/C23H40N4O7/c1-3-5-11-23(22(33)34,21(32)17(24)14-20(30)31)27(19(29)15-25-4-2)18(28)8-6-7-16-9-12-26-13-10-16/h16-17,25-26H,3-15,24H2,1-2H3,(H,30,31)(H,33,34)