Try beta.chemspider
- 21 of 21 defined stereocentres
(4S)-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid
C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)N
InChI=1S/C97H154N34O36S2/c1-43(2)28-55(119-84(155)60(35-73(144)145)123-88(159)62(38-132)127-89(160)63(39-133)126-80(151)52(20-26-168-6)113-76(147)48(98)31-71(140)141)82(153)115-51(17-19-70(138)139)78(149)114-49(12-8-22-108-96(102)103)77(148)122-59(34-72(142)143)85(156)120-56(29-46-36-106-41-110-46)83(154)117-53(13-9-23-109-97(104)105)93(164)130-24-11-15-66(130)91(162)124-57(30-47-37-107-42-111-47)86(157)129-74(44(3)4)92(163)128-64(40-134)87(158)118-54(21-27-169-7)94(165)131-25-10-14-65(131)90(161)116-50(16-18-67(99)135)79(150)121-58(32-68(100)136)81(152)112-45(5)75(146)125-61(95(166)167)33-69(101)137/h36-37,41-45,48-66,74,132-134H,8-35,38-40,98H2,1-7H3,(H2,99,135)(H2,100,136)(H2,101,137)(H,106,110)(H,107,111)(H,112,152)(H,113,147)(H,114,149)(H,115,153)(H,116,161)(H,117,154)(H,118,158)(H,119,155)(H,120,156)(H,121,150)(H,122,148)(H,123,159)(H,124,162)(H,125,146)(H,126,151)(H,127,160)(H,128,163)(H,129,157)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)(H4,102,103,108)(H4,104,105,109)/t45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,74-/m0/s1
UYPZXUIXSSDJPM-CGVKNGJKSA-N
CSID:31047829, http://www.chemspider.com/Chemical-Structure.31047829.html (accessed 04:36, Apr 27, 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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