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

Systemtic Name: 4-azanyl-2-[2-(ethylamino)ethanoyl-(4-piperidin-4-ylbutanoyl)amino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid Openeye Name: 4-amino-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-2-isopropyl-3-oxo-hexanedioic acid CAS Name: 4-amino-2-[[2-(ethylamino)-1-oxoethyl]-[1-oxo-4-(4-piperidinyl)butyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid IUPAC Name: 4-amino-2-[[2-(ethylamino)acetyl]-(4-piperidin-4-ylbutanoyl)amino]-3-oxo-2-propan-2-ylhexanedioic acid Traditional Name: 4-amino-2-[[2-(ethylamino)acetyl]-[4-(4-piperidyl)butanoyl]amino]-2-isopropyl-3-keto-adipic acid Formula: C22H38N4O7 MolecularWeight: 470.55972

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)N(C(=O)CCCC1CCNCC1)C(C(C)C)(C(=O)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

CCNCC(=O)N(C(=O)CCCC1CCNCC1)C(C(C)C)(C(=O)C(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C22H38N4O7/c1-4-24-13-18(28)26(17(27)7-5-6-15-8-10-25-11-9-15)22(14(2)3,21(32)33)20(31)16(23)12-19(29)30/h14-16,24-25H,4-13,23H2,1-3H3,(H,29,30)(H,32,33)