- 12 of 13 defined stereocentres
N-[(2S)-4-Amino-1-{[(2S,3R)-1-({(2S)-4-amino-1-oxo-1-[(2-{(2S,5R,8S,11S,14S,17S,20S)-8,14,17-tris(2-aminoethyl)-20-[(1R)-1-hydroxyethyl]-5-isobutyl-11-isopropyl-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13, 16,19-heptaazacyclohenicosan-2-yl}ethyl)amino]-2-butanyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]-6-methyloctanamide
O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[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)N1)[C@H](O)C)CCN)CCN)C(C)C)CCN)CC(C)C)CCN)[C@H](O)C)CCN)CCCCC(C)CC
InChI=1S/C52H98N16O13/c1-9-29(6)12-10-11-13-39(71)59-33(15-21-54)46(75)67-41(30(7)69)51(80)62-32(14-20-53)43(72)58-25-19-37-45(74)65-38(26-27(2)3)49(78)61-35(17-23-56)47(76)66-40(28(4)5)50(79)63-34(16-22-55)44(73)60-36(18-24-57)48(77)68-42(31(8)70)52(81)64-37/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,72)(H,59,71)(H,60,73)(H,61,78)(H,62,80)(H,63,79)(H,64,81)(H,65,74)(H,66,76)(H,67,75)(H,68,77)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38-,40+,41+,42+/m1/s1
UGRUOHFKSULXDX-PGEODCOPSA-N
CSID:8853118, http://www.chemspider.com/Chemical-Structure.8853118.html (accessed 21:34, 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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