Celogentin D
AlkaPlorer ID: AK034275
Synonym: ''
IUPAC Name: (2S)-7-amino-2-[[(2S)-2-[[(10S,13S,16S,19R,22S,25S,26R)-22-[(2S)-butan-2-yl]-13-[3-(diaminomethylideneamino)propyl]-12,15,18,21,24-pentaoxo-25-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-19,26-di(propan-2-yl)-3,5,7,11,14,17,20,23-octazapentacyclo[14.13.2.12,27.15,8.04,30]tritriaconta-1,4(30),6,8(33),27(32),28-hexaene-10-carbonyl]amino]-2-(1H-imidazol-5-yl)acetyl]amino]heptanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](N=C(O)[C@H]2CCC(O)=N2)[C@H](C(C)C)C2=CC=C3C4=C(NC3=C2)N2C=NC(=C2)C[C@@H](C(O)=N[C@H](C(O)=N[C@@H](CCCCCN)C(=O)O)C2=CN=CN2)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C4)N=C(O)[C@@H](C(C)C)N=C1O
InChI: InChI=1S/C57H82N18O11/c1-7-29(6)44-53(82)71-43(28(4)5)52(81)70-39-22-33-32-15-14-30(42(27(2)3)46(55(84)72-44)74-49(78)35-16-17-41(76)65-35)20-37(32)66-47(33)75-24-31(64-26-75)21-38(69-48(77)34(67-50(39)79)13-11-19-62-57(59)60)51(80)73-45(40-23-61-25-63-40)54(83)68-36(56(85)86)12-9-8-10-18-58/h14-15,20,23-29,34-36,38-39,42-46,66H,7-13,16-19,21-22,58H2,1-6H3,(H,61,63)(H,65,76)(H,67,79)(H,68,83)(H,69,77)(H,70,81)(H,71,82)(H,72,84)(H,73,80)(H,74,78)(H,85,86)(H4,59,60,62)/t29-,34-,35+,36-,38-,39-,42+,43+,44-,45-,46-/m0/s1
InChIKey: FHWIRTXPSAFRCL-ZYCUMPKISA-N
Reference
New antimitotic bicyclic peptides, celogentins D–H, and J, from the seeds of Celosia argentea
PubChem CID: 162924854
LOTUS: LTS0175662
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1195.3979999999992
TPSA？: 480.8200000000001
MolLogP？: 6.5899700000000125
Number of H-Donors: 16
Number of H-Acceptors: 15
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|