Celogentin F
AlkaPlorer ID: AK034302
Synonym: ''
IUPAC Name: (2R)-2-[[(8S,9S,12R,15R,18R,21S,27R)-12-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic 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](CCCNC(=N)N)C(=O)O)N=C(O)CN=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/C53H78N18O11/c1-7-26(6)41-49(79)68-40(25(4)5)48(78)67-36-20-30-29-13-12-27(39(24(2)3)42(50(80)69-41)70-45(75)32-14-15-37(72)62-32)18-34(29)64-43(30)71-22-28(61-23-71)19-35(46(76)66-33(51(81)82)11-9-17-59-53(56)57)63-38(73)21-60-44(74)31(65-47(36)77)10-8-16-58-52(54)55/h12-13,18,22-26,31-33,35-36,39-42,64H,7-11,14-17,19-21H2,1-6H3,(H,60,74)(H,62,72)(H,63,73)(H,65,77)(H,66,76)(H,67,78)(H,68,79)(H,69,80)(H,70,75)(H,81,82)(H4,54,55,58)(H4,56,57,59)/t26-,31+,32-,33-,35-,36-,39+,40-,41-,42+/m1/s1
InChIKey: IZPPUIAWMHHUAO-SREJNTLPSA-N
Reference
New antimitotic bicyclic peptides, celogentins D–H, and J, from the seeds of Celosia argentea
PubChem CID: 162821412
LOTUS: LTS0025304
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1143.3219999999992
TPSA？: 488.0200000000001
MolLogP？: 4.869740000000013
Number of H-Donors: 17
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|