MFCD00079814

More details:

• Systematic name

  (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid

• SMILES

  [H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N

• Std. InChi

  InChI=1S/C94H171N31O28/c1-45(2)35-60(116-73(134)51(12)108-85(146)66(42-127)122-78(139)58(26-20-32-105-93(100)101)112-83(144)65(40-70(131)132)120-87(148)67(43-128)121-74(135)54(97)41-126)81(142)118-63(38-48(7)8)80(141)110-56(24-16-18-30-96)77(138)123-68(44-129)86(147)113-55(23-15-17-29-95)76(137)117-62(37-47(5)6)79(140)111-57(25-19-31-104-92(98)99)75(136)107-50(11)72(133)115-61(36-46(3)4)82(143)119-64(39-49(9)10)84(145)124-71(53(14)130)89(150)109-52(13)90(151)125-34-22-28-69(125)88(149)114-59(91(152)153)27-21-33-106-94(102)103/h45-69,71,126-130H,15-44,95-97H2,1-14H3,(H,107,136)(H,108,146)(H,109,150)(H,110,141)(H,111,140)(H,112,144)(H,113,147)(H,114,149)(H,115,133)(H,116,134)(H,117,137)(H,118,142)(H,119,143)(H,120,148)(H,121,135)(H,122,139)(H,123,138)(H,124,145)(H,131,132)(H,152,153)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)/t50-,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,71-/m0/s1

• Std. InChIKey

  PBZROVYZANOHJC-IGEHTQFKSA-N

• Cite this record

  CSID:17288870, http://www.chemspider.com/Chemical-Structure.17288870.html (accessed 03:22, Jul 1, 2024)