Emanating immense promise in the realm of oncology, DfTat stands tall as a remarkable drug uniquely designed to selectively assail the relentless propagation of malignant cells. Radiating profound anti-tumor prowess, this therapeutic marvel has elicitated fervent enthusiasm, substantiated by diligent in vitro and in vivo investigations. Endeavoring to galvanize the well-being and longevity of cancer-stricken individuals, DfTat presents an invaluable therapeutic avenue, augmenting the prospects of survival and embellishing their cherished existence.
CAT No: GR2196
CAS No: 2035480-78-3
Chemical Name: 5-[[(5S)-5-[[(2R)-2-amino-3-[[(2S)-2-amino-3-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-[[4-[3,6-bis(dimethylamino)xanthen-10-ium-9-yl]-3-carboxylatobenzoyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-6-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyl]-2-[3,6-bis(dimethylamino)xanthen-10-ium-9-yl]benzoate
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M.F/Formula | C178H292N74O34S2 |
M.W/Mr. | 4076.82 |
Appearance | Solid |
InChI | InChI=1S/C178H292N74O34S2/c1-249(2)97-53-59-103-131(87-97)285-132-88-98(250(3)4)54-60-104(132)139(103)101-57-51-95(85-107(101)165(281)282)141(257)213-71-19-13-37-113(147(263)237-121(43-25-77-219-171(197)198)155(271)235-115(33-9-15-67-179)149(265)233-117(35-11-17-69-181)151(267)239-123(45-27-79-221-173(201)202)157(273)243-127(49-31-83-225-177(209)210)161(277)247-129(63-65-135(185)253)163(279)245-125(47-29-81-223-175(205)206)159(275)241-119(41-23-75-217-169(193)194)153(269)231-111(39-21-73-215-167(189)190)145(261)227-91-137(187)255)229-143(259)109(183)93-287-288-94-110(184)144(260)230-114(38-14-20-72-214-142(258)96-52-58-102(108(86-96)166(283)284)140-105-61-55-99(251(5)6)89-133(105)286-134-90-100(252(7)8)56-62-106(134)140)148(264)238-122(44-26-78-220-172(199)200)156(272)236-116(34-10-16-68-180)150(266)234-118(36-12-18-70-182)152(268)240-124(46-28-80-222-174(203)204)158(274)244-128(50-32-84-226-178(211)212)162(278)248-130(64-66-136(186)254)164(280)246-126(48-30-82-224-176(207)208)160(276)242-120(42-24-76-218-170(195)196)154(270)232-112(40-22-74-216-168(191)192)146(262)228-92-138(188)256/h51-62,85-90,109-130H,9-50,63-84,91-94,179-184H2,1-8H3,(H80-2,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,253,254,255,256,257,258,259,260,261,262,263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284)/t109-,110+,111-,112+,113-,114+,115-,116+,117-,118+,119-,120+,121-,122+,123-,124+,125-,126+,127-,128+,129-,130+ |
InChI Key | KSTZLDWQORDIJC-MKOWABPZSA-N |
Canonical SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=[O+]2)N(C)C)C4=C(C=C(C=C4)C(=O)NCCCCC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N)NC(=O)C(CSSCC(C(=O)NC(CCCCNC(=O)C5=CC(=C(C=C5)C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(C)C)N(C)C)C(=O)[O-])C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N)N)N)C(=O)[O-] |
Isomeric SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=[O+]2)N(C)C)C4=C(C=C(C=C4)C(=O)NCCCC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N)NC(=O)[C@@H](CSSC[C@@H](C(=O)N[C@@H](CCCCNC(=O)C5=CC(=C(C=C5)C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(C)C)N(C)C)C(=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)N)N)C(=O)[O-] |
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