- 9 of 9 defined stereocentres
1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-(2-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl }-L-prolyl-L-leucylglycinamide
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCO
InChI=1S/C42H65N11O12S2/c1-5-22(4)34-41(64)47-26(12-14-54)37(60)49-29(17-32(44)56)38(61)51-30(20-67-66-19-25(43)35(58)48-28(39(62)52-34)16-23-8-10-24(55)11-9-23)42(65)53-13-6-7-31(53)40(63)50-27(15-21(2)3)36(59)46-18-33(45)57/h8-11,21-22,25-31,34,54-55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,64)(H,48,58)(H,49,60)(H,50,63)(H,51,61)(H,52,62)/t22-,25-,26-,27-,28-,29-,30-,31-,34-/m0/s1
XNCNOMALMZWZFT-IJJDPNTDSA-N
CSID:34255819, http://www.chemspider.com/Chemical-Structure.34255819.html (accessed 15:22, Mar 28, 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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