Celogentin H
AlkaPlorer ID: AK034323
Synonym: ''
IUPAC Name: (2S)-2-[[(8R,9S,12S,15S,18S,21S,27S)-12-[(2S)-butan-2-yl]-15-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2S)-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-carbonyl]amino]butanedioic 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)=N[C@@H](CC(=O)O)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/C52H73N15O13/c1-7-24(5)40-48(76)62-34-18-29-28-12-11-26(39(23(3)4)42(66-45(73)31-13-14-36(68)58-31)50(78)65-41(25(6)8-2)49(77)64-40)16-32(28)60-43(29)67-21-27(57-22-67)17-33(46(74)63-35(51(79)80)19-38(70)71)59-37(69)20-56-44(72)30(61-47(34)75)10-9-15-55-52(53)54/h11-12,16,21-25,30-31,33-35,39-42,60H,7-10,13-15,17-20H2,1-6H3,(H,56,72)(H,58,68)(H,59,69)(H,61,75)(H,62,76)(H,63,74)(H,64,77)(H,65,78)(H,66,73)(H,70,71)(H,79,80)(H4,53,54,55)/t24-,25+,30+,31+,33+,34+,35+,39-,40+,41+,42+/m1/s1
InChIKey: RGKZERBXZATAKF-BJCMOPKXSA-N
Reference
New antimitotic bicyclic peptides, celogentins D–H, and J, from the seeds of Celosia argentea
PubChem CID: 162821408
LOTUS: LTS0270067
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1116.2479999999998
TPSA？: 463.4200000000001
MolLogP？: 5.471270000000009
Number of H-Donors: 15
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|