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Murcko scaffold

Ring system with 1 ring and 33 atoms

19 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
33
Chemicals
19
With full pages
5
Scaffold SMILES

O=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 19 of 19 chemicals

Surfactin chemical structure, C53H93N7O13, CAS 24730-31-2
Surfactin
CAS 24730-31-2C53H93N7O13
cyclo[DL-Asp-DL-Leu-DL-Leu-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Val] chemical structure, C53H93N7O13
cyclo[DL-Asp-DL-Leu-DL-Leu-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Val]
C53H93N7O13
Surfactin C1 chemical structure, C53H93N7O13, CAS 252023-70-4
Surfactin C1
CAS 252023-70-4C53H93N7O13
Surfactin E chemical structure, C52H91N7O13, CAS 87099-78-3
Surfactin E
CAS 87099-78-3C52H91N7O13
Surfactin C2 chemical structure, C53H93N7O13, CAS 171039-18-2
Surfactin C2
CAS 171039-18-2C53H93N7O13
Pumilacidin B chemical structure, C53H93N7O13, CAS 128220-84-8
Pumilacidin B
CAS 128220-84-8C53H93N7O13
Surfactin B chemical structure, C52H91N7O13, CAS 1419881-49-4
Surfactin B
CAS 1419881-49-4C52H91N7O13
Glomosporin chemical structure, C42H71N9O17, CAS 288631-37-8
Glomosporin
CAS 288631-37-8C42H71N9O17
Surfactin A chemical structure, C51H89N7O13, CAS 1419881-43-8
Surfactin A
CAS 1419881-43-8C51H89N7O13
(4R)-5-[[(3S,6R,9S,12S,15R,18S,21R,24R,25S)-21-[(2R)-Butan-2-yl]-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-(3-hydroxytetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid chemical structure, C64H114N10O17
(4R)-5-[[(3S,6R,9S,12S,15R,18S,21R,24R,25S)-21-[(2R)-Butan-2-yl]-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-(3-hydroxytetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
C64H114N10O17
Anteiso-C15-surfactin chemical structure, C53H93N7O13, CAS 2092672-44-9
Anteiso-C15-surfactin
CAS 2092672-44-9C53H93N7O13
OrfamideB chemical structure, C63H112N10O17, CAS 939960-35-7
OrfamideB
CAS 939960-35-7C63H112N10O17
Herbicolin B chemical structure, C52H91N13O15, CAS 74188-24-2
Herbicolin B
CAS 74188-24-2C52H91N13O15
Pumilacidin A chemical structure, C54H95N7O13, CAS 128220-83-7
Pumilacidin A
CAS 128220-83-7C54H95N7O13
Pumilacidin C chemical structure, C56H99N7O13, CAS 128196-28-1
Pumilacidin C
CAS 128196-28-1C56H99N7O13
(4R)-5-[[(3S,6R,9S,12S,15R,18S,21R,24R,25R)-6,15-Bis(hydroxymethyl)-9,12,18-triisobutyl-3-isopropyl-25-methyl-21-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-(3-hydroxytetradecanoylamino)-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid chemical structure, C64H114N10O17, CAS 939960-34-6
(4R)-5-[[(3S,6R,9S,12S,15R,18S,21R,24R,25R)-6,15-Bis(hydroxymethyl)-9,12,18-triisobutyl-3-isopropyl-25-methyl-21-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-(3-hydroxytetradecanoylamino)-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid
CAS 939960-34-6C64H114N10O17
Orb2299226 chemical structure, C64H114N10O17
Orb2299226
C64H114N10O17
Sodium surfactin C1 chemical structure, C53H91N7Na2O13, CAS 2452406-74-3
Sodium surfactin C1
CAS 2452406-74-3C53H91N7Na2O13
(4R)-5-[[(3S,6R,9S,12S,15R,18R,21R,24R,25R)-21-[(2S)-Butan-2-yl]-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxytetradecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid chemical structure, C64H114N10O17
(4R)-5-[[(3S,6R,9S,12S,15R,18R,21R,24R,25R)-21-[(2S)-Butan-2-yl]-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxytetradecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
C64H114N10O17