Molecule

None

AlkaPlorer ID: AK569909

Synonym: None

IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(4H-imidazol-4-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]butanedioic acid

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)CN)C(O)=NCC(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=NCC(O)=N[C@@H](CC1C=NC=N1)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)O)[C@@H](C)CC

InChI: InChI=1S/C81H104N20O24/c1-5-42(3)69(100-77(120)53(91-62(105)33-82)26-45-17-11-8-12-18-45)79(122)89-39-65(108)92-55(28-47-34-85-51-20-14-13-19-50(47)51)72(115)87-37-64(107)94-57(30-61(83)104)76(119)97-58(31-67(110)111)78(121)101-70(43(4)6-2)80(123)98-52(25-44-15-9-7-10-16-44)71(114)86-36-63(106)93-56(29-48-35-84-41-90-48)75(118)96-54(27-46-21-23-49(103)24-22-46)74(117)99-60(40-102)73(116)88-38-66(109)95-59(81(124)125)32-68(112)113/h7-24,34-35,41-43,48,52-60,69-70,85,102-103H,5-6,25-33,36-40,82H2,1-4H3,(H2,83,104)(H,86,114)(H,87,115)(H,88,116)(H,89,122)(H,91,105)(H,92,108)(H,93,106)(H,94,107)(H,95,109)(H,96,118)(H,97,119)(H,98,123)(H,99,117)(H,100,120)(H,101,121)(H,110,111)(H,112,113)(H,124,125)/t42-,43-,48?,52-,53-,54-,55-,56-,57-,58-,59-,60-,69-,70-/m0/s1

InChIKey: XJIRKQKGXLBEJR-USPUVUMISA-N

Reference

Anantin-A peptide antagonist of the atrial natriuretic factor(ANF). I. Producing organism, fermentation, isolation and biological activity.

PubChem CID: 163191817

CAS: 133658-46-5

LOTUS: LTS0091727

Source

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

Properties Information

Molecule Weight: 1741.8390000000009

TPSA？: 751.8200000000005

MolLogP？: 7.420170000000022

Number of H-Donors: 24

Number of H-Acceptors: 24

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi