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Ansacarbamitocin A1

AlkaPlorer ID: AK064195

Synonym: None

IUPAC Name: [(2S,3S,4S,5S,6S)-3-carbamoyloxy-6-[(3E,5E,7R,8S,12S,13S,16S)-21-chloro-8,22-dihydroxy-7-methoxy-3,13,15-trimethyl-16-(methylcarbamoyloxy)-10,18-dioxo-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(24),3,5,14,20,22-hexaen-19-yl]-5-hydroxy-4-methoxyoxan-2-yl]methyl acetate

Structure

SMILES: CNC(=O)O[C@H]1CC(=O)N([C@H]2O[C@@H](COC(C)=O)[C@H](OC(N)=O)[C@@H](OC)[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=C/1C

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InChI: InChI=1S/C38H51ClN4O15/c1-18-9-8-10-28(52-6)38(51)16-26(57-37(50)42-38)20(3)12-19(2)25(56-36(49)41-5)15-29(46)43(23-13-22(11-18)14-24(45)30(23)39)34-31(47)33(53-7)32(58-35(40)48)27(55-34)17-54-21(4)44/h8-10,12-14,20,25-28,31-34,45,47,51H,11,15-17H2,1-7H3,(H2,40,48)(H,41,49)(H,42,50)/b10-8+,18-9+,19-12+/t20-,25-,26-,27-,28+,31-,32-,33-,34-,38-/m0/s1

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InChIKey: KOPAOFAMVCIMRZ-CAHPWJRFSA-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: 839.292

TPSA？: 263.9699999999999

MolLogP？: 2.4642000000000026

Number of H-Donors: 6

Number of H-Acceptors: 15

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None Molecular identity unknown Activity None None 10.1021/np070275t
None NON-PROTEIN TARGET Activity None None 10.1021/np070275t

Metabolism Information