Molecule

I5B2

AlkaPlorer ID: AK042629

Synonym: None

IUPAC Name: [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

Structure

SMILES: CN[C@H](C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=NC(CC1=CC=C(O)C=C1)P(=O)(O)O)C(C)C

InChI: InChI=1S/C23H32N3O7P/c1-14(2)21(24-3)23(30)25-19(12-15-4-8-17(27)9-5-15)22(29)26-20(34(31,32)33)13-16-6-10-18(28)11-7-16/h4-11,14,19-21,24,27-28H,12-13H2,1-3H3,(H,25,30)(H,26,29)(H2,31,32,33)/t19-,20?,21-/m0/s1

InChIKey: AFAFFSSNAUKMNO-YSTUSHMSSA-N

Reference

Isolation and characterization of I5B2, a new phosphorus containing inhibitor of angiotensin I converting enzyme produced by Actinomadura sp.

PubChem CID: 125070

CAS: 57448-85-8

LOTUS: LTS0211023

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NPAtlas: NPA020907

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Actinomadura sp.	Actinomadura	Thermomonosporaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 493.4970000000002

TPSA？: 175.2

MolLogP？: 2.9124000000000017

Number of H-Donors: 7

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi