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1-(2-{2-[(16E,23E,30E,33E)-16,23,30,33-tetrahydroxy-35-[hydroxy(phenyl)methyl]-21-(methoxymethyl)-28-methyl-25-{[(Z)-methyl-C-hydroxycarbonimidoyl]methyl}-18-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1²,?.1¹²,¹?.1¹?,²².1²?,²?.0?,¹¹]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboximidic acid

AlkaPlorer ID: AK093629

Synonym: None

IUPAC Name: 1-[2-[2-[35-[hydroxy(phenyl)methyl]-21-(methoxymethyl)-28-methyl-25-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-18-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide

Structure

SMILES: CN=C(O)CC1N=C(O)C2=C(COC)SC(=N2)C(C(C)C)N=C(O)C2=CSC(=N2)C2=CC=C(C3=NC(C4=NC(C(=O)N5CCCC5C(=N)O)CO4)=CS3)N=C2C2=CSC(=N2)C2=CSC(=N2)C(C(O)C2=CC=CC=C2)N=C(O)CN=C(O)C2=C(C)SC1=N2

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InChI: InChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)48(78)61-29(16-37(72)58-4)53-69-40(25(3)86-53)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,78)(H,67,73)(H,68,76)

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InChIKey: YMUAOVHRCGSGJV-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 1290.5529999999997

TPSA？: 368.62000000000006

MolLogP？: 10.38869

Number of H-Donors: 8

Number of H-Acceptors: 24

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information