JBIR-95
AlkaPlorer ID: AK023709
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-[[2-[[(2R,3S)-3-hydroxy-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-3-sulfopropanoyl]amino]propanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: CC(C)[C@H](N=C(O)CC1=CC=CC=C1)C(O)=N[C@H](CS(=O)(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](C(O)=NCC(O)=N[C@H](C)C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)O)[C@@H](O)C(C)C
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)/t23-,24+,27+,28-,31+,32-,33+/m1/s1
InChIKey: LDYZAOFAJYXPFY-LVIJEMCTSA-N
Reference
JBIR-78 and JBIR-95: Phenylacetylated Peptides Isolated from <i>Kibdelosporangium</i> sp. AK-AA56
PubChem CID: 57331969
LOTUS: LTS0062223
{NPAtlas: NPA000864
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium sp. AK-AA56 | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 861.9720000000001
TPSA？: 340.03
MolLogP？: 4.064000000000007
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|