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

Systemtic Name: 4-azanyl-2-[2-(ethylamino)ethanoyl-(3-piperidin-4-ylpropanoyl)amino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid Openeye Name: 4-amino-2-[[2-(ethylamino)acetyl]-[3-(4-piperidyl)propanoyl]amino]-2-isopropyl-3-oxo-hexanedioic acid CAS Name: 4-amino-2-[[2-(ethylamino)-1-oxoethyl]-[1-oxo-3-(4-piperidinyl)propyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid IUPAC Name: 4-amino-2-[[2-(ethylamino)acetyl]-(3-piperidin-4-ylpropanoyl)amino]-3-oxo-2-propan-2-ylhexanedioic acid Traditional Name: 4-amino-2-[[2-(ethylamino)acetyl]-[3-(4-piperidyl)propanoyl]amino]-2-isopropyl-3-keto-adipic acid Formula: C21H36N4O7 MolecularWeight: 456.53314

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)N(C(=O)CCC1CCNCC1)C(C(C)C)(C(=O)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

CCNCC(=O)N(C(=O)CCC1CCNCC1)C(C(C)C)(C(=O)C(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C21H36N4O7/c1-4-23-12-17(27)25(16(26)6-5-14-7-9-24-10-8-14)21(13(2)3,20(31)32)19(30)15(22)11-18(28)29/h13-15,23-24H,4-12,22H2,1-3H3,(H,28,29)(H,31,32)