N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-2-[[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-[[(2S,3R)-4-[[2-[(tert-butylamino)-oxomethyl]phenyl]thio]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-2-[[(1S,2R)-1-benzyl-3-[[2-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]quinaldamide Formula: C42H43N5O4S MolecularWeight: 713.88692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1SCC(C(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=NC6=CC=CC=C6C=C5)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1SC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=NC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C42H43N5O4S/c1-42(2,3)47-39(49)31-17-9-12-20-38(31)52-26-37(48)35(23-27-13-5-4-6-14-27)45-41(51)36(24-29-25-43-33-19-11-8-16-30(29)33)46-40(50)34-22-21-28-15-7-10-18-32(28)44-34/h4-22,25,35-37,43,48H,23-24,26H2,1-3H3,(H,45,51)(H,46,50)(H,47,49)/t35-,36-,37-/m0/s1