Drug Information
Drug General Information | Top | |||
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Drug ID |
D0N9NA
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Former ID |
DNC006389
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Drug Name |
Cypate-[(RGD)4-NH2]2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C136H201N52O42+
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Canonical SMILES |
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N)C(=O)O)C=CC=CC=CC=C4C(C5=C(N4CCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N)C(=O)O)C=CC6=CC=CC=C65)(C)C)C
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InChI |
1S/C136H200N52O42/c1-135(2)89(187(87-38-36-67-22-10-12-24-69(67)109(87)135)49-40-91(189)171-71(26-14-41-155-127(139)140)113(215)165-60-96(194)177-81(54-105(205)206)121(223)183-75(30-18-45-159-131(147)148)117(219)167-62-98(196)179-83(56-107(209)210)123(225)185-77(32-20-47-161-133(151)152)119(221)169-64-100(198)181-85(125(227)228)50-92(190)172-72(27-15-42-156-128(141)142)114(216)163-58-94(192)175-79(111(137)213)52-103(201)202)34-8-6-5-7-9-35-90-136(3,4)110-70-25-13-11-23-68(70)37-39-88(110)188(90)66-102(200)174-74(29-17-44-158-130(145)146)116(218)166-61-97(195)178-82(55-106(207)208)122(224)184-76(31-19-46-160-132(149)150)118(220)168-63-99(197)180-84(57-108(211)212)124(226)186-78(33-21-48-162-134(153)154)120(222)170-65-101(199)182-86(126(229)230)51-93(191)173-73(28-16-43-157-129(143)144)115(217)164-59-95(193)176-80(112(138)214)53-104(203)204/h5-13,22-25,34-39,71-86H,14-21,26-33,40-66H2,1-4H3,(H67-,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230)/p+1/t71-,72-,73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+,85+,86+/m0/s1
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InChIKey |
ZQQKMIYGRGPTIR-LKERAZDISA-O
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PubChem Compound ID |
References | Top | |||
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REF 1 | Design, synthesis, and evaluation of near infrared fluorescent multimeric RGD peptides for targeting tumors. J Med Chem. 2006 Apr 6;49(7):2268-75. |
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