- 9 of 9 defined stereocentres
(3S,4E,6S,7E,9S,10E,12S,13E,15S,16S)-3-Amino-6-(3-carbamimidamidopropyl)-15-[(E)-{[(2S)-1-{(2S)-2-[(E)-{[(1S)-1-carboxy-2-phenylethyl]imino}(hydroxy)methyl]-1-pyrrolidinyl}-3-(1H-imidazol-5-yl)-1-oxo- 2-propanyl]imino}(hydroxy)methyl]-4,7,10,13-tetrahydroxy-12-(4-hydroxybenzyl)-9-isopropyl-16-methyl-5,8,11,14-tetraazaoctadeca-4,7,10,13-tetraen-1-oic acid
CC[C@H](C)[C@@H](/C(=N\[C@@H](Cc1cnc[nH]1)C(=O)N2CCC[C@H]2/C(=N\[C@@H](Cc3ccccc3)C(=O)O)/O)/O)/N=C(\[C@H](Cc4ccc(cc4)O)/N=C(\[C@H](C(C)C)/N=C(\[C@H](CCCNC(=N)N)/N=C(\[C@H](CC(=O)O)N)/O)/O)/O)/O
InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
CZGUSIXMZVURDU-JZXHSEFVSA-N
CSID:150504, http://www.chemspider.com/Chemical-Structure.150504.html (accessed 00:56, Apr 19, 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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