Try beta.chemspider
- 12 of 14 defined stereocentres
2,2'-[(3S,6S,9S,12S,18R,21R,27S,30R,33S,34R)-6,30-Bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-[(2S)-2-butanyl]-33-{[N-(3-hydroxy-8-methyldecanoyl)-L-seryl]amino}-12-(1H-indol-3-ylmethyl)-34-m ethyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane-18,27-diyl]diacetic acid
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3)CC(=O)O)CC(=O)N)CC(=O)O)CCN)NC(=O)[C@H](CO)NC(=O)CC(CCCCC(C)CC)O)C)Cc4ccccc4)CCN
InChI=1S/C68H100N16O21/c1-6-35(3)15-11-12-18-40(86)27-52(88)77-50(34-85)65(101)84-58-37(5)105-68(104)49(25-38-16-9-8-10-17-38)82-62(98)44(22-24-70)78-66(102)57(36(4)7-2)83-64(100)45(26-39-31-72-42-20-14-13-19-41(39)42)75-53(89)32-73-60(96)48(30-56(93)94)81-63(99)46(28-51(71)87)76-54(90)33-74-59(95)47(29-55(91)92)80-61(97)43(21-23-69)79-67(58)103/h8-10,13-14,16-17,19-20,31,35-37,40,43-50,57-58,72,85-86H,6-7,11-12,15,18,21-30,32-34,69-70H2,1-5H3,(H2,71,87)(H,73,96)(H,74,95)(H,75,89)(H,76,90)(H,77,88)(H,78,102)(H,79,103)(H,80,97)(H,81,99)(H,82,98)(H,83,100)(H,84,101)(H,91,92)(H,93,94)/t35?,36-,37+,40?,43+,44-,45-,46+,47-,48+,49-,50-,57-,58-/m0/s1
FTXBOLNDVPQAFJ-FFYQYJGDSA-N
CSID:17294432, http://www.chemspider.com/Chemical-Structure.17294432.html (accessed 04:05, Jul 4, 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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