[3-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-[(2-propan-2-ylphenyl)sulfanylmethyl]propyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

Systemtic Name: [3-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-[(2-propan-2-ylphenyl)sulfanylmethyl]propyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid Openeye Name: [3-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-[(2-isopropylphenyl)sulfanylmethyl]-3-oxo-propyl]-[(1R)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphinic acid CAS Name: [3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxo-2-[[(2-propan-2-ylphenyl)thio]methyl]propyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid IUPAC Name: [3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxo-2-[(2-propan-2-ylphenyl)sulfanylmethyl]propyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid Traditional Name: [3-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-keto-2-[(o-cumenylthio)methyl]propyl]-[(1R)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphinic acid Formula: C40H45N4O6PS MolecularWeight: 740.847261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SCC(CP(=O)(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CC(C)C1=CC=CC=C1SCC(CP(=O)([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C40H45N4O6PS/c1-27(2)32-17-10-12-20-36(32)52-26-31(39(46)43-35(38(41)45)22-30-23-42-34-19-11-9-18-33(30)34)25-51(48,49)37(21-28-13-5-3-6-14-28)44-40(47)50-24-29-15-7-4-8-16-29/h3-20,23,27,31,35,37,42H,21-22,24-26H2,1-2H3,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t31?,35-,37+/m0/s1