JBIR 78
AlkaPlorer ID: AK303293
Synonym: Antibiotic JBIR 78
IUPAC Name: 4-[[1-[[1-[[2-[[1-[(1-carboxy-2-phenylethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-oxobutanoic acid
Structure
SMILES: CC(N=C(O)CN=C(O)C(N=C(O)C(C)N=C(O)C(CC(=O)O)N=C(O)C(N=C(O)CC1=CC=CC=C1)C(C)C)C(O)C(C)C)C(O)=NC(CC1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)
InChIKey: AYHQEXAHORNEMG-UHFFFAOYSA-N
Reference
JBIR-78 and JBIR-95: Phenylacetylated Peptides Isolated from <i>Kibdelosporangium</i> sp. AK-AA56
PubChem CID: 76513379
LOTUS: LTS0237184
COCONUT: CNP0352987.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium sp. AK-AA56 | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 825.9170000000003
TPSA？: 322.96
MolLogP？: 4.650900000000006
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|