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Ansacarbamitocin D

AlkaPlorer ID: AK064127

Synonym: None

IUPAC Name: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-9-[(2S,3S,4S,5R,6S)-5-carbamoyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-11-chloro-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate

Structure

SMILES: CN=C(O)O[C@H]1CC(=O)N([C@H]2O[C@@H](CO)[C@H](OC(=N)O)[C@@H](O)[C@@H]2O)C2=CC(=CC(O)=C2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(O)=N2)[C@@H](C)[C@@H]2O[C@@]12C

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InChI: InChI=1S/C35H47ClN4O15/c1-15-7-6-8-22(50-5)35(49)13-20(52-33(48)39-35)16(2)29-34(3,55-29)23(53-32(47)38-4)12-24(43)40(18-10-17(9-15)11-19(42)25(18)36)30-27(45)26(44)28(54-31(37)46)21(14-41)51-30/h6-8,10-11,16,20-23,26-30,41-42,44-45,49H,9,12-14H2,1-5H3,(H2,37,46)(H,38,47)(H,39,48)/b8-6+,15-7+/t16-,20+,21+,22-,23+,26+,27+,28+,29+,30+,34+,35+/m1/s1

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InChIKey: XPIJOLPXNNKWBT-VEGPDJPXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Amycolatopsis sp. Amycolatopsis Pseudonocardiaceae Pseudonocardiales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 799.2270000000001

TPSA？: 289.3999999999999

MolLogP？: 1.2733700000000032

Number of H-Donors: 9

Number of H-Acceptors: 15

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information