(2S)-4-methyl-N-[(3S)-2-oxidanyloxolan-3-yl]-2-[[(2S)-2-[2-(10H-phenothiazin-2-yloxy)ethanoylamino]but-3-enoyl]amino]pentanamide

Systemtic Name: (2S)-4-methyl-N-[(3S)-2-oxidanyloxolan-3-yl]-2-[[(2S)-2-[2-(10H-phenothiazin-2-yloxy)ethanoylamino]but-3-enoyl]amino]pentanamide Openeye Name: (2S)-N-[(3S)-2-hydroxytetrahydrofuran-3-yl]-4-methyl-2-[[(2S)-2-[[2-(10H-phenothiazin-2-yloxy)acetyl]amino]but-3-enoyl]amino]pentanamide CAS Name: (2S)-N-[(3S)-2-hydroxy-3-oxolanyl]-4-methyl-2-[[(2S)-1-oxo-2-[[1-oxo-2-(10H-phenothiazin-2-yloxy)ethyl]amino]but-3-enyl]amino]pentanamide IUPAC Name: (2S)-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[[(2S)-2-[[2-(10H-phenothiazin-2-yloxy)acetyl]amino]but-3-enoyl]amino]pentanamide Traditional Name: (2S)-N-[(3S)-2-hydroxytetrahydrofuran-3-yl]-4-methyl-2-[[(2S)-2-[[2-(10H-phenothiazin-2-yloxy)acetyl]amino]but-3-enoyl]amino]valeramide Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC1O)NC(=O)C(C=C)NC(=O)COC2=CC3=C(C=C2)SC4=CC=CC=C4N3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCOC1O)NC(=O)[C@H](C=C)NC(=O)COC2=CC3=C(C=C2)SC4=CC=CC=C4N3

InChI

InChI=1S/C28H34N4O6S/c1-4-18(26(34)32-22(13-16(2)3)27(35)31-20-11-12-37-28(20)36)30-25(33)15-38-17-9-10-24-21(14-17)29-19-7-5-6-8-23(19)39-24/h4-10,14,16,18,20,22,28-29,36H,1,11-13,15H2,2-3H3,(H,30,33)(H,31,35)(H,32,34)/t18-,20-,22-,28?/m0/s1