Molecule

Anantin

AlkaPlorer ID: AK067961

Synonym: None

IUPAC Name: (3R)-3-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[[(5S,8R,14R,20R,23S)-5-benzyl-8-[(2S)-butan-2-yl]-3,6,9,12,15,18,21,25-octahydroxy-20-(2-hydroxy-2-iminoethyl)-14-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclopentacosa-3,6,9,12,15,18,21,25-octaen-23-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-4-[(1R)-1-carboxy-2-phenylethyl]imino-4-hydroxybutanoic acid

Structure

SMILES: CC[C@@H](C)[C@H](N=C(O)[C@@H]1CC(O)=NCC(O)=N[C@@H](CC2=CC=CC=C2)C(O)=N[C@H]([C@@H](C)CC)C(O)=NCC(O)=N[C@H](CC2=CNC3=CC=CC=C23)C(O)=NCC(O)=N[C@H](CC(=N)O)C(O)=N1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=NCC(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CO)C(O)=NCC(O)=N[C@H](CC(=O)O)C(O)=N[C@H](CC1=CC=CC=C1)C(=O)O

InChI: InChI=1S/C90H111N21O24/c1-5-48(3)77-88(132)98-45-75(120)101-62(34-54-39-93-58-25-17-16-24-57(54)58)80(124)96-43-73(118)103-64(36-69(91)114)84(128)106-65(37-70(115)94-41-71(116)100-60(86(130)110-77)31-51-20-12-8-13-21-51)87(131)111-78(49(4)6-2)89(133)107-59(30-50-18-10-7-11-19-50)79(123)95-42-72(117)102-63(35-55-40-92-47-99-55)83(127)105-61(32-53-26-28-56(113)29-27-53)82(126)109-68(46-112)81(125)97-44-74(119)104-66(38-76(121)122)85(129)108-67(90(134)135)33-52-22-14-9-15-23-52/h7-29,39-40,47-49,59-68,77-78,93,112-113H,5-6,30-38,41-46H2,1-4H3,(H2,91,114)(H,92,99)(H,94,115)(H,95,123)(H,96,124)(H,97,125)(H,98,132)(H,100,116)(H,101,120)(H,102,117)(H,103,118)(H,104,119)(H,105,127)(H,106,128)(H,107,133)(H,108,129)(H,109,126)(H,110,130)(H,111,131)(H,121,122)(H,134,135)/t48-,49+,59-,60-,61-,62+,63-,64+,65-,66+,67+,68-,77+,78-/m0/s1

InChIKey: PXMKNCAIFBQHPS-XPZIXDMWSA-N

Reference

Anantin-A peptide antagonist of the atrial natriuretic factor(ANF). II. Determination of the primary sequence by NMR on the basis of proton assignments.

PubChem CID: 139588920

LOTUS: LTS0179834

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NPAtlas: NPA020678

Source

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

Properties Information

Molecule Weight: 1871.001000000001

TPSA？: 757.6400000000004

MolLogP？: 10.009170000000015

Number of H-Donors: 25

Number of H-Acceptors: 23

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi