Celogentin G
AlkaPlorer ID: AK034315
Synonym: ''
IUPAC Name: (8S,9S,12S,15S,18S,21S,27R)-12,15-bis[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8-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-carboxylic acid
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@H]([C@H](C)CC)N=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)O)N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C4)N=C1O
InChI: InChI=1S/C48H68N14O10/c1-7-23(5)37-44(68)58-32-18-28-27-12-11-25(36(22(3)4)39(61-42(66)30-13-14-34(63)54-30)46(70)60-38(24(6)8-2)45(69)59-37)16-31(27)56-40(28)62-20-26(53-21-62)17-33(47(71)72)55-35(64)19-52-41(65)29(57-43(32)67)10-9-15-51-48(49)50/h11-12,16,20-24,29-30,32-33,36-39,56H,7-10,13-15,17-19H2,1-6H3,(H,52,65)(H,54,63)(H,55,64)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,66)(H,71,72)(H4,49,50,51)/t23-,24-,29+,30-,32+,33-,36+,37+,38+,39+/m1/s1
InChIKey: SPTBAGLYYLQEPE-KNHFMEDRSA-N
Reference
New antimitotic bicyclic peptides, celogentins D–H, and J, from the seeds of Celosia argentea
PubChem CID: 162821410
LOTUS: LTS0155091
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1001.1599999999996
TPSA？: 393.53
MolLogP？: 5.671470000000008
Number of H-Donors: 13
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|