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name Structure Reference Source Properties Activities Metabolism

2-({2-[(21Z)-9,29-dihydroxy-48-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-40-(methoxymethyl)-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decaazanonacyclo[26.16.6.1²,?.1¹²,¹?.1²²,²?.1³?,?¹.1??,??.0?,¹¹.0³?,³?]pentapentaconta-2(55),4,6(11),7,9,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide

AlkaPlorer ID: AK543603

Synonym: None

IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18S,21E,28S,29S)-9,29-dihydroxy-48-[(2R,3S,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-40-(methoxymethyl)-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide

Structure

SMILES: C=C(N=C(O)C1=CSC(C2=C(O)C=C3C4=NC(=CS4)C(O)=N[C@@H]([C@@H](C)O)C(O)=N/C(=C(\C)OC)C4=NC(=CS4)C(O)=N[C@@H]4C5=NC(=C(O[C@H]6O[C@H](C)[C@@H](O)[C@H](OC)[C@@H]6OC)S5)C(=O)N[C@@H](CSC(=O)C5=C(COC)C6=C(C=CC=C6N5)COC(=O)C[C@@H]4O)C4=NC(=CS4)C3=N2)=N1)C(=N)O

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InChI: InChI=1S/C61H61N13O19S6/c1-21(48(62)80)63-49(81)30-18-97-57(69-30)42-34(76)12-26-40(70-42)29-16-95-55(66-29)33-20-98-59(86)41-27(15-87-5)37-25(10-9-11-28(37)64-41)14-91-36(78)13-35(77)43(58-74-44(53(85)65-33)61(99-58)93-60-47(90-8)46(89-7)45(79)24(4)92-60)73-51(83)32-19-96-56(68-32)39(23(3)88-6)72-52(84)38(22(2)75)71-50(82)31-17-94-54(26)67-31/h9-12,16-19,22,24,33,35,38,43,45-47,60,64,75-77,79H,1,13-15,20H2,2-8H3,(H2,62,80)(H,63,81)(H,65,85)(H,71,82)(H,72,84)(H,73,83)/b39-23+/t22-,24-,33+,35+,38+,43+,45-,46+,47+,60-/m1/s1

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InChIKey: UZKVEEBKHKCETO-NWCPRQEDSA-N

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Properties Information

Molecule Weight: 1472.6330000000005

TPSA？: 476.34

MolLogP？: 7.82387000000001

Number of H-Donors: 12

Number of H-Acceptors: 31

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information