Bremelanotide
(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid
Molecular Identity
Bremelanotide
(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid
PubChem CID: 9941379
Bremelanotide is an oligopeptide.
2D Structure
Properties
C50H68N14O10
Molecular Formula
1025.20
Molecular Weight
g/mol
1024.5243
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
379
TPSA
May have limited oral absorption
13
H-Bond Donors
12
H-Bond Acceptors
1950
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bremelanotide189691-06-3Bremelanotida6Y24O4F92SPT-141 FREE BASEPT 141(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acidDTXSID40893711L-Lysine, N-acetyl-L-norleucyl-L-alpha-aspartyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-, (2->7)-lactamN-Acetyl-L-2-aminohexanoyl-L-alpha-aspartyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-L-lysine-(2->7)-lactamBremelanotidum(3S,6S,9R,12S,15S,23S)-15-(((2S)-2-acetamidohexanoyl)amino)-9-benzyl-6-(3-(diaminomethylideneamino)propyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acidRefChem:58355DTXCID701323799PT-141
Data from PubChem (NCBI)
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