methyl (2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-2-methyl-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S)-2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-2-methyl-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)propanoyl]amino]propionic acid methyl ester Formula: C56H86N6O19 MolecularWeight: 1147.31084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C(=O)NC(C)(CC1=CC2=C(C=C1)OCCOCCOCCOCCO2)C(=O)NC(C)C(=O)OC)NC(=O)C(C)(CC3=CC4=C(C=C3)OCCOCCOCCOCCO4)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C(=O)N[C@@](C)(CC1=CC2=C(C=C1)OCCOCCOCCOCCO2)C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@](C)(CC3=CC4=C(C=C3)OCCOCCOCCOCCO4)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C56H86N6O19/c1-37(57-49(67)55(10,61-48(66)54(8,9)62-51(69)81-52(3,4)5)35-39-13-15-41-43(33-39)79-31-27-75-23-19-71-17-21-73-25-29-77-41)45(63)59-53(6,7)47(65)60-56(11,50(68)58-38(2)46(64)70-12)36-40-14-16-42-44(34-40)80-32-28-76-24-20-72-18-22-74-26-30-78-42/h13-16,33-34,37-38H,17-32,35-36H2,1-12H3,(H,57,67)(H,58,68)(H,59,63)(H,60,65)(H,61,66)(H,62,69)/t37-,38-,55-,56-/m0/s1