(2S)-4-[(4-bromanylthiophen-2-yl)methyl]-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-3-ylmethyl)pentyl]piperazine-2-carboxamide

Systemtic Name: (2S)-4-[(4-bromanylthiophen-2-yl)methyl]-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-3-ylmethyl)pentyl]piperazine-2-carboxamide Openeye Name: (2S)-4-[(4-bromo-2-thienyl)methyl]-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-4-(3-pyridylmethyl)pentyl]piperazine-2-carboxamide CAS Name: (2S)-4-[(4-bromo-2-thiophenyl)methyl]-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(3-pyridinylmethyl)pentyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-[(4-bromothiophen-2-yl)methyl]-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-3-ylmethyl)pentyl]piperazine-2-carboxamide Traditional Name: (2S)-4-[(4-bromo-2-thienyl)methyl]-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-4-(3-pyridylmethyl)pentyl]piperazine-2-carboxamide Formula: C34H44BrN5O4S MolecularWeight: 698.71326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CN=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CC(=CS5)Br

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CN=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC(=CS5)Br

InChI

InChI=1S/C34H44BrN5O4S/c1-34(2,3)38-33(44)29-20-39(19-27-16-25(35)21-45-27)11-12-40(29)18-26(41)14-24(13-22-7-6-10-36-17-22)32(43)37-31-28-9-5-4-8-23(28)15-30(31)42/h4-10,16-17,21,24,26,29-31,41-42H,11-15,18-20H2,1-3H3,(H,37,43)(H,38,44)/t24-,26+,29+,30-,31+/m1/s1