2-(1-benzothiophen-2-ylcarbonylamino)-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoic acid

Systemtic Name: 2-(1-benzothiophen-2-ylcarbonylamino)-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoic acid Openeye Name: 2-(benzothiophene-2-carbonylamino)-5-[2-(1-benzyl-4-piperidyl)ethylamino]-5-oxo-pentanoic acid CAS Name: 2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-5-oxo-5-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]pentanoic acid IUPAC Name: 2-(1-benzothiophene-2-carbonylamino)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxopentanoic acid Traditional Name: 2-(benzothiophene-2-carbonylamino)-5-[2-(1-benzyl-4-piperidyl)ethylamino]-5-keto-valeric acid Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=O)CCC(C(=O)O)NC(=O)C2=CC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCNC(=O)CCC(C(=O)O)NC(=O)C2=CC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O4S/c32-26(29-15-12-20-13-16-31(17-14-20)19-21-6-2-1-3-7-21)11-10-23(28(34)35)30-27(33)25-18-22-8-4-5-9-24(22)36-25/h1-9,18,20,23H,10-17,19H2,(H,29,32)(H,30,33)(H,34,35)