Tallysomycins

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Supplier	Creative Peptides
Product #	MFP-069
CAS #	67995-68-0
Pricing	Inquire
Synonyms	tallysomycin; Bu 2231; Tallysomycins
MolecularFormula	C132H212N42O53S4
MolecularWeight	3363.6
ChemicalName	[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6S)-2-[(1R,2S)-3-[[(2R,3S,4S)-5-[[(2S,3S)-1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(3R,4R,5S,6S)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-methoxyoxan-4-yl] carbamate;[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3S)-1-[[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(3R,4R,5S,6S)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-methoxyoxan-4-yl] carbamate
InChI	InChI=1S/C69H112N22O27S2.C63H100N20O26S2/c1-25-39(87-55(90-53(25)75)32(19-36(73)93)82-20-31(72)54(76)103)58(106)89-41(50(33-21-79-24-83-33)113-68-52(44(97)46(99)64(110-6)118-68)114-67-48(101)51(115-69(77)109)47(100)65(111-7)117-67)60(108)84-27(3)42(95)26(2)56(104)88-40(28(4)92)59(107)91-61(116-66-45(98)43(96)38(74)29(5)112-66)49(102)63-86-35(23-120-63)62-85-34(22-119-62)57(105)81-16-10-12-30(71)18-37(94)80-17-11-15-78-14-9-8-13-70;1-21-33(79-49(82-47(21)68)27(15-31(66)85)74-16-26(65)48(69)94)52(97)81-35(44(28-17-72-20-75-28)104-62-46(38(88)40(90)58(101-6)109-62)105-61-42(92)45(106-63(70)100)41(91)59(102-7)108-61)54(99)76-23(3)36(86)22(2)50(95)80-34(24(4)84)53(98)83-55(107-60-39(89)37(87)32(67)25(5)103-60)43(93)57-78-30(19-111-57)56-77-29(18-110-56)51(96)73-14-10-13-71-12-9-8-11-64/h21-24,26-32,38,40-52,61,64-68,78,82,92,95-102H,8-20,70-72,74H2,1-7H3,(H2,73,93)(H2,76,103)(H2,77,109)(H,79,83)(H,80,94)(H,81,105)(H,84,108)(H,88,104)(H,89,106)(H,91,107)(H2,75,87,90);17-20,22-27,32,34-46,55,58-62,71,74,84,86-93H,8-16,64-65,67H2,1-7H3,(H2,66,85)(H2,69,94)(H2,70,100)(H,72,75)(H,73,96)(H,76,99)(H,80,95)(H,81,97)(H,83,98)(H2,68,79,82)/t26-,27+,28-,29-,30?,31-,32-,38+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49?,50-,51+,52+,61?,64-,65+,66?,67+,68-;22-,23+,24-,25-,26-,27-,32+,34-,35-,36-,37+,38+,39+,40+,41+,42+,43?,44-,45+,46+,55?,58-,59+,60?,61+,62-/m00/s1
InChIKey	HAIWEKGFOVTOQS-NMUUNWPTSA-N
CanonicalSMILES	CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)OC)O)O)OC6C(C(C(C(O6)OC)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N.CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCNCCCCN)O)NC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)OC)O)O)OC6C(C(C(C(O6)OC)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N
IsomericSMILES	C[C@H]1[C@H]([C@H]([C@H](C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](C)NC(=O)[C@H]([C@H](C4=CN=CN4)O[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)OC)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)OC)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)O)O)N.C[C@H]1[C@H]([C@H]([C@H](C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCNCCCCN)O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](C)NC(=O)[C@H]([C@H](C4=CN=CN4)O[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)OC)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)OC)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)O)O)N

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