(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]butanediamide

More details:

• Systematic name

  (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[2-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]butanediamide

• SMILES

  CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CN

• Std. InChi

  InChI=1S/C134H227N35O32/c1-25-74(17)108(132(199)157-91(111(142)178)51-67(3)4)168-121(188)90(42-32-36-50-138)155-119(186)89(41-31-35-49-137)154-114(181)79(22)150-123(190)94(54-70(9)10)158-115(182)78(21)146-113(180)77(20)149-122(189)93(53-69(7)8)159-116(183)80(23)148-118(185)88(40-30-34-48-136)156-124(191)95(55-71(11)12)162-128(195)101(61-104(141)174)165-133(200)109(75(18)26-2)167-120(187)87(39-29-33-47-135)151-106(176)65-145-117(184)92(52-68(5)6)160-125(192)96(56-72(13)14)161-127(194)98(58-82-43-45-84(172)46-44-82)153-107(177)64-144-112(179)76(19)147-131(198)102(66-170)166-129(196)100(60-103(140)173)163-126(193)97(57-73(15)16)164-134(201)110(81(24)171)169-130(197)99(152-105(175)62-139)59-83-63-143-86-38-28-27-37-85(83)86/h27-28,37-38,43-46,63,67-81,87-102,108-110,143,170-172H,25-26,29-36,39-42,47-62,64-66,135-139H2,1-24H3,(H2,140,173)(H2,141,174)(H2,142,178)(H,144,179)(H,145,184)(H,146,180)(H,147,198)(H,148,185)(H,149,189)(H,150,190)(H,151,176)(H,152,175)(H,153,177)(H,154,181)(H,155,186)(H,156,191)(H,157,199)(H,158,182)(H,159,183)(H,160,192)(H,161,194)(H,162,195)(H,163,193)(H,164,201)(H,165,200)(H,166,196)(H,167,187)(H,168,188)(H,169,197)/t74-,75-,76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-/m0/s1

• Std. InChIKey

  PBKWZFANFUTEPS-CWUSWOHSSA-N

• Cite this record

  CSID:17290614, http://www.chemspider.com/Chemical-Structure.17290614.html (accessed 18:45, Apr 29, 2024)