(2S,3R)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-16-benzyl-10-(3-carbamimidamidopropyl)-7-(carbamoylmethyl)-13-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-3-hyd
AlkaPlorer ID: AK370491
Synonym: None
IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(O)=N[C@@H](C(O)=NCC(=N)O)[C@@H](C)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C1O
InChI: InChI=1S/C41H64N14O11S2/c1-20(2)31-39(65)49-24(11-7-13-47-41(45)46)34(60)51-26(16-29(43)57)35(61)52-27(19-68-67-18-23(42)33(59)50-25(36(62)53-31)15-22-9-5-4-6-10-22)40(66)55-14-8-12-28(55)37(63)54-32(21(3)56)38(64)48-17-30(44)58/h4-6,9-10,20-21,23-28,31-32,56H,7-8,11-19,42H2,1-3H3,(H2,43,57)(H2,44,58)(H,48,64)(H,49,65)(H,50,59)(H,51,60)(H,52,61)(H,53,62)(H,54,63)(H4,45,46,47)/t21-,23+,24+,25+,26+,27+,28+,31+,32-/m1/s1
InChIKey: DTNQMGKQKUUXKP-PDZKQJQOSA-N
Reference
Annetocin: An Oxytocin-Related Peptide Isolated from the Earthworm, Eisenia foetida
PubChem CID: 197651
CAS: 154445-03-1
LOTUS: LTS0235374
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eisenia fetida | Eisenia | Lumbricidae | Crassiclitellata | Clitellata | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 993.184
TPSA？: 444.75000000000006
MolLogP？: 2.6102100000000097
Number of H-Donors: 16
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|