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- 13 of 13 defined stereocentres
N-[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-15-isobutyl-2,5,8,11,14,17,20-heptaoxo-12-sec-butyl-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]propyl]-6-methyl-heptanamide
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)NCC1)[C@H](O)C)CCN)CCN)[C@@H](C)CC)CC(C)C)CCN)CCN)[C@H](O)C)CCN)CCCCC(C)C
InChI=1S/C52H98N16O13/c1-9-29(6)40-51(80)63-34(16-22-55)43(72)61-36(18-24-57)48(77)67-41(30(7)69)50(79)58-25-19-37(46(75)60-33(15-21-54)45(74)65-38(26-28(4)5)49(78)66-40)62-44(73)35(17-23-56)64-52(81)42(31(8)70)68-47(76)32(14-20-53)59-39(71)13-11-10-12-27(2)3/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,79)(H,59,71)(H,60,75)(H,61,72)(H,62,73)(H,63,80)(H,64,81)(H,65,74)(H,66,78)(H,67,77)(H,68,76)/t29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,40-,41-,42-/m0/s1
DRHFCEIZVVAMEH-GZQYODANSA-N
CSID:8549505, http://www.chemspider.com/Chemical-Structure.8549505.html (accessed 10:02, Apr 23, 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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