Try beta.chemspider
- 12 of 12 defined stereocentres
N-[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[2-[(2S,5R,8S,11S,14S,17S,20S)-8,14,17-tris(2-aminoethyl)-20-(1-hydroxyethyl)-5,11-diisobutyl-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]ethylcarbamoyl]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)NCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CC(C)C)CCN)CC(C)C)CCN)CCN)[C@H](O)C)CCN)[C@H](O)C)CCN)CCCCC(C)C
InChI=1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)59-33(14-20-54)47(76)67-41(30(7)69)51(80)63-32(13-19-53)43(72)58-24-18-37-46(75)66-39(26-29(5)6)50(79)62-35(16-22-56)45(74)65-38(25-28(3)4)49(78)61-34(15-21-55)44(73)60-36(17-23-57)48(77)68-42(31(8)70)52(81)64-37/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,72)(H,59,71)(H,60,73)(H,61,78)(H,62,79)(H,63,80)(H,64,81)(H,65,74)(H,66,75)(H,67,76)(H,68,77)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1
ICLXKGVSHUBQRZ-SSWRVQTPSA-N
CSID:8733608, http://www.chemspider.com/Chemical-Structure.8733608.html (accessed 01:41, Apr 27, 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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