Matlystatin A1 

AlkaPlorer ID: AK305298

Synonym: None

IUPAC Name: 2-acetamido-3-[4-[[2-[2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-5-methyl-3-oxoheptyl]sulfanylpropanoic acid

Structure

SMILES: CCCCCC(CC(O)=NO)C(=O)N1NCCCC1C(O)=NC(C(=O)CCSCC(N=C(C)O)C(=O)O)C(C)CC

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InChI: InChI=1S/C27H47N5O8S/c1-5-7-8-10-19(15-23(35)31-40)26(37)32-21(11-9-13-28-32)25(36)30-24(17(3)6-2)22(34)12-14-41-16-20(27(38)39)29-18(4)33/h17,19-21,24,28,40H,5-16H2,1-4H3,(H,29,33)(H,30,36)(H,31,35)(H,38,39)

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InChIKey: FKOLSKSZEQBBHL-UHFFFAOYSA-N

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Reference

PubChem CID: 10054339

COCONUT: CNP0279599.1

Properties Information

Molecule Weight: 601.7670000000002

TPSA: 204.71

MolLogP: 3.9075000000000033

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information