Try beta.chemspider
- 10 of 10 defined stereocentres
(3S,9S,12S,15S,18S,24R,29R,32S,37aS)-29-Amino-15-(4-aminobutyl)-32-(2-amino-2-oxoethyl)-18-(2-carboxyethyl)-9-(4-hydroxybenzyl)-12-(1-hydroxyethyl)-3-[2-(methylsulfanyl)ethyl]-1,4,7,10,13,16,19,22,30, 33-decaoxotetratriacontahydro-1H-pyrrolo[2,1-b_1_][1,2,5,8,11,14,17,20,23,26,29,32]dithiadecaazacyclopentatriacontine-24-carboxylic acid
C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)Cc3ccc(cc3)O)CCSC)CC(=O)N)N)C(=O)O)CCC(=O)O)CCCCN)O
InChI=1S/C48H73N13O17S3/c1-24(62)39-46(75)58-28(6-3-4-15-49)43(72)56-29(12-13-38(67)68)41(70)52-21-37(66)55-33(48(77)78)23-81-80-22-27(50)40(69)59-32(19-35(51)64)47(76)61-16-5-7-34(61)45(74)57-30(14-17-79-2)42(71)53-20-36(65)54-31(44(73)60-39)18-25-8-10-26(63)11-9-25/h8-11,24,27-34,39,62-63H,3-7,12-23,49-50H2,1-2H3,(H2,51,64)(H,52,70)(H,53,71)(H,54,65)(H,55,66)(H,56,72)(H,57,74)(H,58,75)(H,59,69)(H,60,73)(H,67,68)(H,77,78)/t24-,27+,28+,29+,30+,31+,32+,33+,34+,39+/m1/s1
JLBMMJHZUYBFGX-ZHTCEXBHSA-N
CSID:29785020, http://www.chemspider.com/Chemical-Structure.29785020.html (accessed 14:09, Apr 24, 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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