Surotomycin
(3S)-3-[[(2R)-4-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-pentylphenyl)but-2-enoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
Molecular Identity
Surotomycin
(3S)-3-[[(2R)-4-amino-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-pentylphenyl)but-2-enoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
PubChem CID: 46700778
2D Structure
Properties
C77H101N17O26
Molecular Formula
1680.70
Molecular Weight
g/mol
1679.7104
Exact Mass
Da
-4
XLogP
Drug-like (Lipinski: < 5)
702
TPSA
May have limited oral absorption
22
H-Bond Donors
28
H-Bond Acceptors
3730
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Surotomycin1233389-51-9CB-183,315CB-183315ON0N776N05DTXSID60153980SurotomicinaSurotomycinesurotomycinumRefChem:890065DTXCID4076471Cb-183, 315Surotomycin [USAN:INN]UNII-ON0N776N05CB 183315
Data from PubChem (NCBI)
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Trials and conditions connected to Surotomycin
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