Celogentin B
AlkaPlorer ID: AK003413
Synonym: '(-)-Celogentin B'
IUPAC Name: (2S)-2-[[(10S,13S,16S,19S,22S,25S,26R)-22-[(2R)-butan-2-yl]-13-[3-(diaminomethylideneamino)propyl]-12,15,18,21,24-pentaoxo-25-[[(2S)-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]-3-(1H-imidazol-5-yl)propanoic 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](CC2=CN=CN2)C(=O)O)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/C51H70N16O10/c1-7-25(6)40-48(74)64-39(24(4)5)47(73)62-35-18-30-29-11-10-26(38(23(2)3)41(49(75)65-40)66-44(70)32-12-13-37(68)58-32)15-33(29)59-42(30)67-20-28(57-22-67)17-34(45(71)63-36(50(76)77)16-27-19-54-21-56-27)61-43(69)31(60-46(35)72)9-8-14-55-51(52)53/h10-11,15,19-25,31-32,34-36,38-41,59H,7-9,12-14,16-18H2,1-6H3,(H,54,56)(H,58,68)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,74)(H,65,75)(H,66,70)(H,76,77)(H4,52,53,55)/t25-,31+,32+,34+,35+,36+,38-,39+,40+,41+/m1/s1
InChIKey: JXRNLQXLWVJGAA-OBDGSNHUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celosia argentea | Celosia | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1067.2229999999995
TPSA？: 422.21
MolLogP？: 5.615770000000008
Number of H-Donors: 14
Number of H-Acceptors: 13
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|