benzene;tert-butyl N-[(1S)-2-[[(1R)-2-[[(1S)-2-[[(1R,2R)-2-[[(2S)-3-benzyloxy-2-[[(2R)-3-benzyloxy-2-[[(2S)-3-[(4-bromophenyl)methoxy]-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]cyclohexyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-1-[(4-bromophenyl)methoxymethyl]-2-oxo-ethyl]carbamate;chloroform

More details:

• Systematic name

  benzene;tert-butyl N-[(1S)-2-[[(1R)-2-[[(1S)-2-[[(1R,2R)-2-[[(2S)-3-benzyloxy-2-[[(2R)-3-benzyloxy-2-[[(2S)-3-[(4-bromophenyl)methoxy]-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]cyclohexyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-1-[(4-bromophenyl)methoxymethyl]-2-oxo-ethyl]carbamate;chloroform

• SMILES

  CC(C)(C)OC(=O)N[C@@H](COCc1ccc(cc1)Br)C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H](COCc3ccccc3)C(=O)N[C@@H]4CCCC[C@H]4NC(=O)[C@H](COCc5ccccc5)NC(=O)[C@@H](COCc6ccccc6)NC(=O)[C@H](COCc7ccc(cc7)Br)NC(=O)OC(C)(C)C.c1ccccc1.C(Cl)(Cl)Cl

• Std. InChi

  InChI=1S/C76H94Br2N8O16.C6H6.CHCl3/c1-75(2,3)101-73(93)85-65(49-99-43-55-31-35-57(77)36-32-55)71(91)83-63(47-97-41-53-25-15-9-16-26-53)69(89)81-61(45-95-39-51-21-11-7-12-22-51)67(87)79-59-29-19-20-30-60(59)80-68(88)62(46-96-40-52-23-13-8-14-24-52)82-70(90)64(48-98-42-54-27-17-10-18-28-54)84-72(92)66(86-74(94)102-76(4,5)6)50-100-44-56-33-37-58(78)38-34-56;1-2-4-6-5-3-1;2-1(3)4/h7-18,21-28,31-38,59-66H,19-20,29-30,39-50H2,1-6H3,(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,84,92)(H,85,93)(H,86,94);1-6H;1H/t59-,60-,61+,62+,63-,64-,65+,66+;;/m1../s1

• Std. InChIKey

  JGWQAFJKDJOSAD-QDIYOREWSA-N

• Cite this record

  CSID:30658639, http://www.chemspider.com/Chemical-Structure.30658639.html (accessed 13:44, Jul 1, 2024)