(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,12S,15S,18S,25S,28S)-18-(2-amino-2-oxo-ethyl)-6-[(1R)-1-hydroxyethyl]-12-(1H-imidazol-4-ylmethyl)-15-(1H-indol-3-ylmethyl)-3-methyl-2,5,8,11,14,17,20,23,27-nonaoxo-1,4,7,10,13,16,19,22,26-nonazabicyclo[26.3.0]hentriacontane-25-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(7-hydroxy-1H-indol-3-yl)propanoic acid

More details:

• Systematic name

  (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,12S,15S,18S,25S,28S)-18-(2-amino-2-oxo-ethyl)-6-[(1R)-1-hydroxyethyl]-12-(1H-imidazol-4-ylmethyl)-15-(1H-indol-3-ylmethyl)-3-methyl-2,5,8,11,14,17,20,23,27-nonaoxo-1,4,7,10,13,16,19,22,26-nonazabicyclo[26.3.0]hentriacontane-25-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(7-hydroxy-1H-indol-3-yl)propanoic acid

• SMILES

  C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)[C@@H](C)O)Cc3c[nH]cn3)Cc4c[nH]c5c4cccc5)CC(=O)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2O)C(=O)O

• Std. InChi

  InChI=1S/C103H115N23O24/c1-53-102(148)126-34-14-24-81(126)100(146)123-79(45-85(133)109-50-86(134)114-77(43-83(104)131)97(143)119-75(40-60-47-108-69-23-12-10-20-66(60)69)96(142)121-76(42-62-49-106-52-112-62)90(136)111-51-87(135)125-88(54(2)127)101(147)113-53)99(145)120-74(39-59-46-107-68-22-11-9-19-65(59)68)95(141)117-70(35-55-15-5-3-6-16-55)91(137)115-71(36-56-17-7-4-8-18-56)93(139)122-78(44-84(105)132)98(144)118-72(37-57-26-30-63(128)31-27-57)92(138)116-73(38-58-28-32-64(129)33-29-58)94(140)124-80(103(149)150)41-61-48-110-89-67(61)21-13-25-82(89)130/h3-13,15-23,25-33,46-49,52-54,70-81,88,107-108,110,127-130H,14,24,34-45,50-51H2,1-2H3,(H2,104,131)(H2,105,132)(H,106,112)(H,109,133)(H,111,136)(H,113,147)(H,114,134)(H,115,137)(H,116,138)(H,117,141)(H,118,144)(H,119,143)(H,120,145)(H,121,142)(H,122,139)(H,123,146)(H,124,140)(H,125,135)(H,149,150)/t53-,54+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,88-/m0/s1

• Std. InChIKey

  CXJFFNSFXUKNNN-BLJRFDHXSA-N

• Cite this record

  CSID:17292380, http://www.chemspider.com/Chemical-Structure.17292380.html (accessed 18:25, Jun 3, 2024)