Molecule

Muracein A

AlkaPlorer ID: AK011527

Synonym: None

IUPAC Name: (6R)-2-[[(4S)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-6,7-diamino-7-oxoheptanoic acid

Structure

SMILES: CC(O)=N[C@@H]1[C@@H](OC(C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(O)=NC(CCC[C@@H](N)C(=N)O)C(=O)O)C(=O)O)[C@H](O)[C@@H](CO)O[C@@H]1O

InChI: InChI=1S/C26H44N6O14/c1-10(29-23(39)11(2)45-20-18(30-12(3)34)26(44)46-16(9-33)19(20)36)22(38)32-15(25(42)43)7-8-17(35)31-14(24(40)41)6-4-5-13(27)21(28)37/h10-11,13-16,18-20,26,33,36,44H,4-9,27H2,1-3H3,(H2,28,37)(H,29,39)(H,30,34)(H,31,35)(H,32,38)(H,40,41)(H,42,43)/t10-,11?,13+,14?,15-,16+,18+,19+,20+,26-/m0/s1

InChIKey: NZFXQRHFBLVEQA-GXOSTJLWSA-N

Reference

Muraceins - Muramyl peptides produced by Nocardia orientalis as angiotensin-converting enzyme inhibitors I. Taxonomy, fermentation and biological properties.

PubChem CID: 5491013

CAS: 90965-60-9

LOTUS: LTS0096518

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NPAtlas: NPA021399

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Nocardia	Nocardiaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 664.6660000000005

TPSA？: 354.2100000000001

MolLogP？: -0.8470299999999928

Number of H-Donors: 12

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi