Molecules/Setmelanotide

Setmelanotide

(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide

C49H68N18O9S21117.30 g/molCID 11993702

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Molecular Identity

Setmelanotide

PubChem CID: 11993702

2D Structure

Properties

C₄₉H₆₈N₁₈O₉S₂

Molecular Formula

1117.30

Molecular Weight

g/mol

1116.4858

Exact Mass

-2.5

XLogP

Drug-like (Lipinski: < 5)

500

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2130

Complexity

SMILES

Canonical SMILES

SMILES:

Synonyms(20)

Setmelanotide920014-72-8RM-493BIM-22493SetmelanotidaN7T15V1FUY(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamideSetmelanotidumDTXSID501032320(4R,7S,10S,13R,16S,19R,22R)-22-(((2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl)amino)-13-benzyl-10-(3-(diaminomethylideneamino)propyl)-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamideRefChem:58308DTXCID101517326L-Cysteinamide, N2-acetyl-L-arginyl-L-cysteinyl-D-alanyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-, cyclic (2->8)-disulfideUNII-N7T15V1FUYSetmelanotide [USAN:INN]

Data from PubChem (NCBI)

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Molecular Structure

Setmelanotide

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Source: PubChem

Drug Network

Trials and conditions connected to Setmelanotide

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