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CHEBI:756865 - dota-noc

Default Structure
ChEBI IDCHEBI:756865
ChEBI Namedota-noc
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC69H94N14O17S2
Net Charge0
Average Mass1455.726
Monoisotopic Mass1454.63628
SMILESC[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
InChIInChI=1S/C69H94N14O17S2/c1-42(85)55(39-84)76-68(99)57-41-102-101-40-56(77-64(95)52(31-44-13-4-3-5-14-44)72-58(87)35-80-23-25-81(36-59(88)89)27-29-83(38-61(92)93)30-28-82(26-24-80)37-60(90)91)67(98)75-53(32-46-17-12-16-45-15-6-7-18-48(45)46)66(97)74-54(33-47-34-71-50-20-9-8-19-49(47)50)65(96)73-51(21-10-11-22-70)63(94)79-62(43(2)86)69(100)78-57/h3-9,12-20,34,42-43,51-57,62,71,84-86H,10-11,21-33,35-41,70H2,1-2H3,(H,72,87)(H,73,96)(H,74,97)(H,75,98)(H,76,99)(H,77,95)(H,78,100)(H,79,94)(H,88,89)(H,90,91)(H,92,93)/t42-,43-,51+,52-,53+,54-,55-,56+,57+,62+/m1/s1
InChIKeyPZCJTYVWTGPGOH-OKVMNLLFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
dota-noc (CHEBI:756865) is a polypeptide (CHEBI:15841)
Synonyms  Source
Dota-nal3-octreotideChEMBL
Dota-nocChEMBL
DotanocChEMBL