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Esperamicin P
[CAS# 133978-90-2]

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CAS#: 133978-90-2
Product: Esperamicin P
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Identification
Name Esperamicin P
Synonyms [3-Hydroxy-6-[[(5Z,13Z)-9-Hydroxy-2-[4-Hydroxy-5-[(4-Hydroxy-6-Methyl-5-Methylsulfanyl-Tetrahydropyran-2-Yl)Oxyamino]-3-[5-(Isopropylamino)-4-Methoxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-12-(Methoxycarbonylamino)-13-(2-Methyldisulfanyldisulfanylethylidene)-11-Oxo-10-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Oxy]-2-Methyl-Tetrahydropyran-4-Yl] 4,5-Dimethoxy-2-(2-Methoxyprop-2-Enoylamino)Benzoate; 4,5-Dimethoxy-2-[(2-Methoxy-1-Oxoprop-2-Enyl)Amino]Benzoic Acid [3-Hydroxy-6-[[(5Z,13Z)-9-Hydroxy-2-[[4-Hydroxy-5-[[4-Hydroxy-6-Methyl-5-(Methylthio)-2-Tetrahydropyranyl]Oxyamino]-3-[[5-(Isopropylamino)-4-Methoxy-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-12-(Methoxycarbonylamino)-13-(2-Methyldisulfanyldisulfanylethylidene)-11-Oxo-10-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Oxy]-2-Methyl-4-Tetrahydropyranyl] Ester; 4,5-Dimethoxy-2-[(2-Methoxyacryloyl)Amino]Benzoic Acid [6-[[(5Z,13Z)-12-(Carbomethoxyamino)-9-Hydroxy-2-[4-Hydroxy-5-[[4-Hydroxy-6-Methyl-5-(Methylthio)Tetrahydropyran-2-Yl]Oxyamino]-3-[5-(Isopropylamino)-4-Methoxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-11-Keto-13-(2-Methyldisulfanyldisulfanylethylidene)-10-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl] Ester
Molecular Structure CAS#: 133978-90-2, Esperamicin P
Molecular Formula C59H80N4O22S5
Molecular Weight 1357.59
CAS Registry Number 133978-90-2
SMILES C6#C\C=C/C#CC(OC2OC(C(NOC1OC(C(SC)C(O)C1)C)C(O)C2OC3OCC(NC(C)C)C(OC)C3)C)C7=C(NC(OC)=O)C(=O)C(OC5OC(C(O)C(OC(=O)C4=C(NC(=O)C(OC)=C)C=C(OC)C(=C4)OC)C5)C)C6(O)\C7=C/CSSSSC
InChI 1S/C59H80N4O22S5/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-90-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)/b15-14-,34-19-
InChIKey DKKLHNXVRAMXCI-YYXSVKOOSA-N
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