tert-butyl N-[(2S)-1-[[(2S)-1-(1H-indol-3-yl)-3-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propoxy]-methoxy-phosphoryl]oxy-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-(1H-indol-3-yl)-3-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propoxy]-methoxy-phosphoryl]oxy-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-1-[[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propoxy]-methoxy-phosphoryl]oxymethyl]-2-(1H-indol-3-yl)ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-(1H-indol-3-yl)-3-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propoxy]-methoxyphosphoryl]oxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-(1H-indol-3-yl)-3-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propoxy]-methoxyphosphoryl]oxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-[[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propoxy]-methoxy-phosphoryl]oxymethyl]-2-(1H-indol-3-yl)ethyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C39H55N6O10P MolecularWeight: 798.861961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)COP(=O)(OC)OCC(CC3=CNC4=CC=CC=C43)NC(=O)C(C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)COP(=O)(OC)OC[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H55N6O10P/c1-24(42-36(48)54-38(3,4)5)34(46)44-28(18-26-20-40-32-16-12-10-14-30(26)32)22-52-56(50,51-9)53-23-29(19-27-21-41-33-17-13-11-15-31(27)33)45-35(47)25(2)43-37(49)55-39(6,7)8/h10-17,20-21,24-25,28-29,40-41H,18-19,22-23H2,1-9H3,(H,42,48)(H,43,49)(H,44,46)(H,45,47)/t24-,25-,28-,29-/m0/s1