Try beta.chemspider
- 5 of 5 defined stereocentres
[(3R,11S,17R,20S,25aS)-3-Carbamoyl-11-{4-[(diaminomethylene)amino]butyl}-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17 -yl]acetic acid
c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N3)CC(=O)O)CCCCN=C(N)N)C(=O)N
InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23+,24-,25-,26-/m0/s1
CZKPOZZJODAYPZ-UUNMLIRYSA-N
CSID:395499, http://www.chemspider.com/Chemical-Structure.395499.html (accessed 05:37, Jun 1, 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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