Try beta.chemspider
- 9 of 10 defined stereocentres
N-({(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[(N-{[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclodode can-1-yl]acetyl}-D-phenylalanyl)amino]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-threonine
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3C=CC=CC2=3)NC(=O)[C@H](CC2C=CC(O)=CC=2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)O)C(O)=O)NC(=O)[C@@H](CC1C=CC=CC=1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39?,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1
QVFLVLMYXXNJDT-KZMPPKJUSA-N
CSID:81368218, http://www.chemspider.com/Chemical-Structure.81368218.html (accessed 14:35, Apr 24, 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