Tyrocidine; Tyrocidine B
AlkaPlorer ID: AK317024
Synonym: 9-L-Tryptophantyrocidine A
IUPAC Name: 3-[21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24-dibenzyl-15-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
Structure
SMILES: CC(C)CC1N=C(O)C(CCCN)N=C(O)C(C(C)C)N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C(CCC(=N)O)N=C(O)C(CC(=N)O)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C2CCCN2C(=O)C(CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C68H88N14O13/c1-38(2)31-49-61(88)80-54(34-41-17-9-6-10-18-41)68(95)82-30-14-22-55(82)66(93)79-52(35-43-37-72-46-20-12-11-19-45(43)46)63(90)77-50(32-40-15-7-5-8-16-40)62(89)78-53(36-57(71)85)64(91)73-48(27-28-56(70)84)60(87)76-51(33-42-23-25-44(83)26-24-42)65(92)81-58(39(3)4)67(94)74-47(21-13-29-69)59(86)75-49/h5-12,15-20,23-26,37-39,47-55,58,72,83H,13-14,21-22,27-36,69H2,1-4H3,(H2,70,84)(H2,71,85)(H,73,91)(H,74,94)(H,75,86)(H,76,87)(H,77,90)(H,78,89)(H,79,93)(H,80,88)(H,81,92)
InChIKey: PUVWPDQSNYAMEH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1309.537
TPSA？: 463.8200000000001
MolLogP？: 9.756440000000005
Number of H-Donors: 16
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|