- 12 of 19 defined stereocentres
N-[(1S)-2-amino-1-[[(1S,2R)-1-[[(1S)-2-amino-1-[[(2S,5S,8S,11S,14S,17S,21S)-2,11,14-tris(1-aminoethyl)-5-benzyl-17-(1-hydroxyethyl)-8-isobutyl-20-methyl-3,6,9,12,15,18,22-heptaoxo-1,4,7,10,13,16,19-heptazacyclodocos-21-yl]carbamoyl]propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]propyl]-6-methyl-octanamide
O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1C)[C@H](O)C)C(N)C)C(N)C)CC(C)C)Cc2ccccc2)C(N)C)C(N)C)[C@H](O)C)C(N)C)CCCCC(C)CC
InChI=1S/C56H98N16O13/c1-13-26(4)19-17-18-22-38(75)65-39(27(5)57)50(79)72-46(34(12)74)56(85)69-42(30(8)60)52(81)70-44-32(10)62-55(84)45(33(11)73)71-53(82)43(31(9)61)67-51(80)41(29(7)59)66-48(77)36(23-25(2)3)63-47(76)37(24-35-20-15-14-16-21-35)64-49(78)40(28(6)58)68-54(44)83/h14-16,20-21,25-34,36-37,39-46,73-74H,13,17-19,22-24,57-61H2,1-12H3,(H,62,84)(H,63,76)(H,64,78)(H,65,75)(H,66,77)(H,67,80)(H,68,83)(H,69,85)(H,70,81)(H,71,82)(H,72,79)/t26?,27?,28?,29?,30?,31?,32?,33-,34-,36+,37+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
ABDXOLGZDDJTIG-YBKDYMHRSA-N
CSID:8095760, http://www.chemspider.com/Chemical-Structure.8095760.html (accessed 20:51, Apr 17, 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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