MD8230000

More details:

• Systematic name

  (2R)-2-[[(2S)-2-[[2-[[(2S)-2-formamido-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(1S)-2-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1S)-2-[[(1R)-1-[[(1S)-2-[[(1R)-1-[[(1S)-2-[[(1R)-1-[[(1S)-2-(2-hydroxyethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]-4-methyl-pentanamide

• SMILES

  C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc5c[nH]c6c5cccc6)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc7c[nH]c8c7cccc8)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O

• Std. InChi

  InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1

• Std. InChIKey

  ZWCXYZRRTRDGQE-LUPIJMBPSA-N

• Cite this record

  CSID:17288928, http://www.chemspider.com/Chemical-Structure.17288928.html (accessed 02:05, May 8, 2024)