(3S)-4-[[(1S)-1-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1R)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-carboxy-2-phenyl-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoic acid

More details:

• Systematic name

  (3S)-4-[[(1S)-1-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1R)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-carboxy-2-phenyl-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoic acid

• SMILES

  CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc4ccccc4)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N

• Std. InChi

  InChI=1S/C98H141N25O23S4/c1-10-53(6)81(97(144)118-70(36-57-41-104-63-25-17-15-23-61(57)63)88(135)122-77(47-147)95(142)109-64(26-18-19-29-99)84(131)115-72(38-59-43-102-50-107-59)90(137)119-74(98(145)146)34-55-20-12-11-13-21-55)123-92(139)68(33-52(4)5)113-93(140)75(45-124)108-79(126)44-105-83(130)69(35-56-40-103-62-24-16-14-22-60(56)62)114-85(132)65(27-30-149-8)111-91(138)73(39-80(127)128)117-89(136)71(37-58-42-101-49-106-58)116-94(141)76(46-125)120-96(143)78(48-148)121-86(133)66(28-31-150-9)110-87(134)67(32-51(2)3)112-82(129)54(7)100/h11-17,20-25,40-43,49-54,64-78,81,103-104,124-125,147-148H,10,18-19,26-39,44-48,99-100H2,1-9H3,(H,101,106)(H,102,107)(H,105,130)(H,108,126)(H,109,142)(H,110,134)(H,111,138)(H,112,129)(H,113,140)(H,114,132)(H,115,131)(H,116,141)(H,117,136)(H,118,144)(H,119,137)(H,120,143)(H,121,133)(H,122,135)(H,123,139)(H,127,128)(H,145,146)/t53-,54-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-/m0/s1

• Std. InChIKey

  PLOANCLMWFXFKN-IXUHSTBYSA-N

• Cite this record

  CSID:17336964, http://www.chemspider.com/Chemical-Structure.17336964.html (accessed 15:36, Jun 29, 2024)