Try beta.chemspider
- 28 of 28 defined stereocentres
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxy-butanoyl]amino]-5-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-(carboxymethyl)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid
[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)[C@H](Cc7ccc(cc7)O)N
InChI=1S/C161H236N42O48/c1-80(2)66-106(191-146(238)108(69-87-28-16-13-17-29-87)179-122(213)78-176-121(212)77-177-133(225)96(163)68-90-39-45-93(206)46-40-90)144(236)182-99(36-25-63-174-160(169)170)134(226)180-98(35-24-62-173-159(167)168)135(227)183-102(52-57-119(165)210)139(231)192-110(70-88-30-18-14-19-31-88)147(239)181-97(34-22-23-61-162)142(234)199-128(82(5)6)154(246)200-129(83(7)8)155(247)202-131(86(12)205)156(248)188-100(37-26-64-175-161(171)172)136(228)198-116(79-204)152(244)187-101(51-56-118(164)209)137(229)185-105(55-60-125(218)219)141(233)197-115(76-127(222)223)157(249)203-65-27-38-117(203)153(245)196-113(74-120(166)211)143(235)178-85(11)132(224)189-109(72-91-41-47-94(207)48-42-91)149(241)194-112(73-92-43-49-95(208)50-44-92)148(240)186-103(53-58-123(214)215)138(230)184-104(54-59-124(216)217)140(232)190-107(67-81(3)4)145(237)193-111(71-89-32-20-15-21-33-89)150(242)195-114(75-126(220)221)151(243)201-130(84(9)10)158(250)251/h13-21,28-33,39-50,80-86,96-117,128-131,204-208H,22-27,34-38,51-79,162-163H2,1-12H3,(H2,164,209)(H2,165,210)(H2,166,211)(H,176,212)(H,177,225)(H,178,235)(H,179,213)(H,180,226)(H,181,239)(H,182,236)(H,183,227)(H,184,230)(H,185,229)(H,186,240)(H,187,244)(H,188,248)(H,189,224)(H,190,232)(H,191,238)(H,192,231)(H,193,237)(H,194,241)(H,195,242)(H,196,245)(H,197,233)(H,198,228)(H,199,234)(H,200,246)(H,201,243)(H,202,247)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,250,251)(H4,167,168,173)(H4,169,170,174)(H4,171,172,175)/t85-,86+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,128-,129-,130-,131-/m0/s1
MBBYLJRDHGOGAF-NBMVQQARSA-N
CSID:17287778, http://www.chemspider.com/Chemical-Structure.17287778.html (accessed 11:52, Apr 23, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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