JBIR 95
AlkaPlorer ID: AK303298
Synonym: None
IUPAC Name: 2-[2-[[2-[[3-hydroxy-4-methyl-2-[2-[[2-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-3-sulfopropanoyl]amino]propanoylamino]pentanoyl]amino]acetyl]amino]propanoylamino]-3-phenylpropanoic acid
Structure
SMILES: CC(N=C(O)CN=C(O)C(N=C(O)C(C)N=C(O)C(CS(=O)(=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/C39H55N7O13S/c1-21(2)31(45-29(47)18-26-15-11-8-12-16-26)38(54)44-28(20-60(57,58)59)36(52)42-24(6)35(51)46-32(33(49)22(3)4)37(53)40-19-30(48)41-23(5)34(50)43-27(39(55)56)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,31-33,49H,17-20H2,1-6H3,(H,40,53)(H,41,48)(H,42,52)(H,43,50)(H,44,54)(H,45,47)(H,46,51)(H,55,56)(H,57,58,59)
InChIKey: LDYZAOFAJYXPFY-UHFFFAOYSA-N
Reference
JBIR-78 and JBIR-95: Phenylacetylated Peptides Isolated from <i>Kibdelosporangium</i> sp. AK-AA56
PubChem CID: 76513380
LOTUS: LTS0031735
COCONUT: CNP0352985.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium sp. AK-AA56 | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 861.9720000000002
TPSA？: 340.03
MolLogP？: 4.064000000000009
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|