Molecule

tendamistat

AlkaPlorer ID: AK007331

Synonym: 'Tendamistat (12-26)'

IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxypropylidene]amino]-4-[(2S)-1-(carboxymethylimino)-1,4-dihydroxy-4-iminobutan-2-yl]imino-4-hydroxybutanoic acid

Structure

SMILES: CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N)C(C)C)[C@@H](C)O)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=NCC(=O)O

InChI: InChI=1S/C79H114N22O26/c1-36(2)26-50(98-78(127)64(39(6)104)101-77(126)63(83)37(3)4)70(119)95-51(27-40-13-17-43(105)18-14-40)71(120)91-49(22-24-59(81)108)69(118)99-57(35-103)76(125)96-53(29-42-32-87-46-11-8-7-10-45(42)46)73(122)90-47(12-9-25-86-79(84)85)68(117)94-52(28-41-15-19-44(106)20-16-41)72(121)100-56(34-102)75(124)92-48(21-23-58(80)107)67(116)89-38(5)65(114)93-55(31-61(110)111)74(123)97-54(30-60(82)109)66(115)88-33-62(112)113/h7-8,10-11,13-20,32,36-39,47-57,63-64,87,102-106H,9,12,21-31,33-35,83H2,1-6H3,(H2,80,107)(H2,81,108)(H2,82,109)(H,88,115)(H,89,116)(H,90,122)(H,91,120)(H,92,124)(H,93,114)(H,94,117)(H,95,119)(H,96,125)(H,97,123)(H,98,127)(H,99,118)(H,100,121)(H,101,126)(H,110,111)(H,112,113)(H4,84,85,86)/t38-,39+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-,64-/m0/s1

InChIKey: QFVHHVFVZLFPHM-UCEBDAAVSA-N

Reference

Influence of Specific Signal Peptide Mutations on the Expression and Secretion of the α-Amylase Inhibitor Tendamistat in

PubChem CID: 100943155

CAS: 135307-06-1

LOTUS: LTS0121259

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces tendae	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 1787.9090000000008

TPSA？: 867.9600000000005

MolLogP？: 5.58338000000001

Number of H-Donors: 32

Number of H-Acceptors: 26

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi