CHEBI:135911 - alsactide

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ChEBI Name alsactide
ChEBI ID CHEBI:135911
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C99H155N29O21S
Net Charge 0
Average Mass 2119.542
Monoisotopic Mass 2118.16730
InChI InChI=1S/C99H155N29O21S/c1-59(2)84(97(148)113-56-81(132)115-68(26-10-14-40-101)87(138)119-69(27-11-15-41-102)88(139)118-67(25-9-13-39-100)85(136)109-45-18-17-43-104)127-96(147)79-30-20-47-128(79)98(149)73(28-12-16-42-103)116-82(133)55-112-86(137)76(51-62-53-111-66-24-8-7-23-65(62)66)124-89(140)70(29-19-46-110-99(106)107)120-93(144)75(49-60-21-5-4-6-22-60)123-94(145)77(52-63-54-108-58-114-63)125-90(141)71(35-36-83(134)135)121-91(142)72(38-48-150-3)122-95(146)78(57-129)126-92(143)74(117-80(131)37-44-105)50-61-31-33-64(130)34-32-61/h4-8,21-24,31-34,53-54,58-59,67-79,84,111,129-130H,9-20,25-30,35-52,55-57,100-105H2,1-3H3,(H,108,114)(H,109,136)(H,112,137)(H,113,148)(H,115,132)(H,116,133)(H,117,131)(H,118,139)(H,119,138)(H,120,144)(H,121,142)(H,122,146)(H,123,145)(H,124,140)(H,125,141)(H,126,143)(H,127,147)(H,134,135)(H4,106,107,110)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1
InChIKey DIDCGVRALANKIU-OTEFFYEFSA-N
SMILES C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](CO)C(N[C@@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(NCC(N[C@@H](CCCCN)C(N6CCC[C@H]6C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(NCCCCN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)(=O)CCN
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alsactide (CHEBI:135911) is a peptide (CHEBI:16670)
Synonym Source
synchrodyn DrugCentral
Manual Xref Database
139 DrugCentral
View more database links
Registry Number Type Source
34765-96-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017