Try beta.chemspider
- 22 of 22 defined stereocentres
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc6cnc[nH]6)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc7ccccc7)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc8ccccc8)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc9ccccc9)NC(=O)[C@H](C(C)C)N
InChI=1S/C131H184N36O27/c1-15-75(13)109(167-129(192)110(76(14)16-2)166-114(177)86(43-32-46-141-131(135)136)149-102(171)62-142-111(174)88(47-70(3)4)153-117(180)90(49-78-35-24-18-25-36-78)154-113(176)87(44-45-100(132)169)152-116(179)91(50-79-37-26-19-27-38-79)158-124(187)105(134)71(5)6)128(191)160-94(54-83-59-138-67-146-83)118(181)156-95(55-84-60-139-68-147-84)121(184)163-106(72(7)8)125(188)144-64-104(173)151-97(57-101(133)170)119(182)155-92(51-80-39-28-20-29-40-80)120(183)164-107(73(9)10)126(189)159-93(53-82-58-137-66-145-82)112(175)143-63-103(172)150-89(48-77-33-22-17-23-34-77)115(178)162-99(65-168)123(186)157-96(56-85-61-140-69-148-85)122(185)165-108(74(11)12)127(190)161-98(130(193)194)52-81-41-30-21-31-42-81/h17-31,33-42,58-61,66-76,86-99,105-110,168H,15-16,32,43-57,62-65,134H2,1-14H3,(H2,132,169)(H2,133,170)(H,137,145)(H,138,146)(H,139,147)(H,140,148)(H,142,174)(H,143,175)(H,144,188)(H,149,171)(H,150,172)(H,151,173)(H,152,179)(H,153,180)(H,154,176)(H,155,182)(H,156,181)(H,157,186)(H,158,187)(H,159,189)(H,160,191)(H,161,190)(H,162,178)(H,163,184)(H,164,183)(H,165,185)(H,166,177)(H,167,192)(H,193,194)(H4,135,136,141)/t75-,76-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,105-,106-,107-,108-,109-,110-/m0/s1
KENGXPKQZMFVCK-PWWQNGLPSA-N
CSID:26352851, http://www.chemspider.com/Chemical-Structure.26352851.html (accessed 18:29, Apr 25, 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
Click to predict properties on the Chemicalize site
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