CHEBI:195326 - Melanotan II

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Melanotan II
ChEBI ID CHEBI:195326
Stars This entity has been manually annotated by a third party.
Submitter Wei-Chia Tseng
Supplier Information
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Formula C50H69N15O9
Net Charge 0
Average Mass 1024.198
Monoisotopic Mass 1023.54027
InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
InChIKey JDKLPDJLXHXHNV-MFVUMRCOSA-N
SMILES O=C1N([C@@](C(C=2C=3C(N(C2[H])[H])=C(C(=C(C3[H])[H])[H])[H])([H])[H])(C(=O)N([C@@](C(C(C(C(N(C(=O)C([C@](N(C(=O)[C@@](N(C(=O)C([H])([H])[H])[H])(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])(C(=O)N([C@](C(=O)N([C@@](C(=O)N([C@]1(C(C(C(N=C(N([H])[H])N([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])(C(C4=C(C(=C(C(=C4[H])[H])[H])[H])[H])([H])[H])[H])[H])(C(C=5N(C(=NC5[H])[H])[H])([H])[H])[H])[H])[H])([H])[H])[H])([H])[H])([H])[H])([H])[H])([H])[H])(C(=O)N([H])[H])[H])[H])[H])[H]
ChEBI Ontology
Outgoing Melanotan II (CHEBI:195326) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Melanotan-II SUBMITTER
MT-II SUBMITTER
Manual Xref Database
135048952 ChemIDplus accession
View more database links
Registry Number Type Source
121062-08-6 CAS Registry Number SUBMITTER