3-azanyl-4-[2-[2-[2-(ethylamino)ethanoyl-piperidin-4-yl-amino]-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-[2-[2-(ethylamino)ethanoyl-piperidin-4-yl-amino]-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-[2-[[2-(ethylamino)acetyl]-(4-piperidyl)amino]-3-hydroxy-3-oxo-propyl]phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-[2-[[2-(ethylamino)-1-oxoethyl]-(4-piperidinyl)amino]-3-hydroxy-3-oxopropyl]phenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-[2-[[2-(ethylamino)acetyl]-piperidin-4-ylamino]-3-hydroxy-3-oxopropyl]phenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-[2-[[2-(ethylamino)acetyl]-(4-piperidyl)amino]-3-hydroxy-3-keto-propyl]phenyl]-4-keto-butyric acid Formula: C22H32N4O6 MolecularWeight: 448.51268

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)N(C1CCNCC1)C(CC2=CC=CC=C2C(=O)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

CCNCC(=O)N(C1CCNCC1)C(CC2=CC=CC=C2C(=O)C(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C22H32N4O6/c1-2-24-13-19(27)26(15-7-9-25-10-8-15)18(22(31)32)11-14-5-3-4-6-16(14)21(30)17(23)12-20(28)29/h3-6,15,17-18,24-25H,2,7-13,23H2,1H3,(H,28,29)(H,31,32)