Try beta.chemspider
- 8 of 16 defined stereocentres
N-{(2R,11R,12S,15S)-12-[(2-Aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotet racosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
O=C1N4C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)N[C@H](NCCN)[C@H](O)CC(NC(=O)CCCCCCCCC(C)CC(C)CC)C(=O)NC1[C@H](O)C)[C@@H](O)CC2)[C@H](O)CCN)[C@H](O)[C@@H](O)c3ccc(O)cc3)C[C@@H](O)C4
InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34?,35?,36-,37+,38-,40?,41?,42?,43?,44+,45+,46+/m1/s1
JYIKNQVWKBUSNH-JXAHLSFWSA-N
CSID:8073888, http://www.chemspider.com/Chemical-Structure.8073888.html (accessed 12:06, Apr 30, 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
Advertisement
Spotlight