Try beta.chemspider
- 14 of 15 defined stereocentres
N-(4-{[(2-Amino-4-oxo-4,8-dihydro-6-pteridinyl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-alpha-aspartyl-L-arginyl-L-alpha-aspartyl-D-alpha-aspartyl-3-{[2-({[2-({(2beta,3beta,4beta,5alpha,12beta,19alpha )-15-[(15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-4(12),5,7,9-tetraen-13-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin- 3-yl}carbonyl)hydrazino]carbonyl}oxy)ethyl]disulfanyl}-L-alanine
CC[C@@]1(C[C@H]2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)NNC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1c[nH]c-2nc(nc(=O)c2n1)N)O)O)CC)C)C(=O)OC)O
InChI=1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56(73(123)124)100-70(119)55(33-62(113)114)99-69(118)54(32-61(111)112)98-67(116)51(14-10-24-90-79(87)88)96-68(117)53(31-60(109)110)94-59(108)20-19-52(72(121)122)97-66(115)43-15-17-44(18-16-43)91-37-45-38-92-65-63(93-45)71(120)102-80(89)101-65/h8-9,11-13,15-18,22,30,34,38,42,51-56,74-76,91,95,125,129-130H,6-7,10,14,19-21,23-29,31-33,35-37,39-41H2,1-5H3,(H,94,108)(H,96,117)(H,97,115)(H,98,116)(H,99,118)(H,100,119)(H,103,126)(H,104,128)(H,109,110)(H,111,112)(H,113,114)(H,121,122)(H,123,124)(H4,87,88,90)(H3,89,92,101,102,120)/t42-,51-,52-,53-,54-,55+,56-,74-,75+,76+,82-,83+,84+,85?,86-/m0/s1
KUZYSQSABONDME-MZOYNKHVSA-N
CSID:57579742, http://www.chemspider.com/Chemical-Structure.57579742.html (accessed 05:00, Apr 26, 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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