(2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(pyridin-4-ylmethyl)pentyl]-4-(thieno[2,3-b]thiophen-5-ylmethyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(pyridin-4-ylmethyl)pentyl]-4-(thieno[2,3-b]thiophen-5-ylmethyl)piperazine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-4-(4-pyridylmethyl)pentyl]-4-(thieno[2,3-b]thiophen-5-ylmethyl)piperazine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]-4-(5-thieno[2,3-b]thiophenylmethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]-4-(thieno[2,3-b]thiophen-5-ylmethyl)piperazine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-4-(4-pyridylmethyl)pentyl]-4-(thieno[2,3-b]thiophen-5-ylmethyl)piperazine-2-carboxamide Formula: C36H45N5O4S2 MolecularWeight: 675.9036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=NC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CC6=C(S5)SC=C6

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=NC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC6=C(S5)SC=C6

InChI

InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-18-25-10-15-46-35(25)47-28)13-14-41(30)20-27(42)17-26(16-23-8-11-37-12-9-23)33(44)38-32-29-7-5-4-6-24(29)19-31(32)43/h4-12,15,18,26-27,30-32,42-43H,13-14,16-17,19-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1