Try beta.chemspider
- 6 of 7 defined stereocentres
N-{2-[({2-[(12S,15R,19S,26S)-26-(2-Amino-2-oxoethyl)-19-benzyl-12-(4-hydroxybenzyl)-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1~2 ,5~.1~15,18~.1~22,25~.1~29,32~.0~6,10~.0~33,38~]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}carbonyl)amino]acryloyl}-L-alanyl-N-{3-[(3-amino-3- oxo-1-propen-2-yl)amino]-3-oxo-1-propen-2-yl}-L-prolinamide
CC1=C2C(=NC(C3=NC(=CS3)C(=NC(C4=NC(CS4)C(=NC(C(=O)N5CCCC5C6=NC(=CS6)C7=NC(=CS7)C8=C(C=CC(=N8)C9=NC(=CS9)C(=NC(=C)C(=NC(C)C(=O)N3CCCC3C(=NC(=C)C(=NC(=C)C(=N)O)O)O)O)O)C(=N2)O1)CC1=CC=C(C=C1)O)O)CC1=CC=CC=C1)O)CC(=N)O)O CC1OC2=NC=1C(=O)N[C@@H](CC(N)=O)C1=NC(=CS1)C(=O)N[C@@H](CC1C=CC=CC=1)C1=N[C@@H](CS1)C(=O)N[C@@H](CC1C=CC(O)=CC=1)C(=O)N1CCCC1C1=NC(=CS1)C1=NC(=CS1)C1N=C(C=CC=12)C1=NC(=CS1)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=C)C(=O)NC(=C)C(N)=O
InChI=1S/C69H66N18O13S5/c1-31(54(71)90)72-55(91)33(3)74-60(96)49-13-9-21-86(49)68(98)34(4)75-56(92)32(2)73-57(93)45-27-102-63(81-45)40-20-19-39-53(76-40)44-26-101-66(80-44)48-30-105-67(84-48)50-14-10-22-87(50)69(99)43(24-37-15-17-38(88)18-16-37)79-59(95)47-29-103-64(82-47)41(23-36-11-7-6-8-12-36)77-58(94)46-28-104-65(83-46)42(25-51(70)89)78-61(97)52-35(5)100-62(39)85-52/h6-8,11-12,15-20,26-28,30,34,41-43,47,49-50,88H,1-3,9-10,13-14,21-25,29H2,4-5H3,(H2,70,89)(H2,71,90)(H,72,91)(H,73,93)(H,74,96)(H,75,92)(H,77,94)(H,78,97)(H,79,95)/t34-,41-,42-,43-,47-,49-,50?/m0/s1
WWWYMYPACSXBTM-RNRSDVNXSA-N
CSID:107561867, http://www.chemspider.com/Chemical-Structure.107561867.html (accessed 23:46, Jun 15, 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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