CAS No.159519-65-0,Enfuvirtide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159519-65-0
Name:	Enfuvirtide

Formula:	C₂₀₄H₃₀₁N₅₁O₆₄
Molecular Weight:	4491.90
Synonyms:	11:PN: WO2008112736 SEQID: 11 claimed protein;1: PN: US20020146415 PAGE: 10claimed protein;1: PN: US20030044411 PAGE: 10 claimed protein;1: PN:WO0155439 SEQID: 1 claimed protein;1: PN: WO0224149 PAGE: 24 claimed protein;414: PN: WO0164013 FIGURE: 24 claimed protein;636: PN: WO0151673 FIGURE: 54claimed protein;6: PN: WO2004091542 SEQID: 7 claimed protein;DP 178;Fuzeon;GP 41-127-162AA;Pentafuside;T 20 (peptide);
EINECS:	641-385-0
Density:	1.59g/cm3
Appearance:	White to off-white amorphous solid
PSA:	1902.89000
LogP:	5.69700

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Specification

1. Introduction of Enfuvirtide

Enfuvirtide, for being one kind of white powder, has the CAS registry number 159519-65-0. The classification codes are Anti-HIV Agents; Anti-Infective Agents; Anti-Retroviral Agents; Antiviral Agents; Antiviral [blockade of gp-41 mediated membrane fusion]; Fusion inhibitor; HIV Fusion Inhibitors.

2. Properties of Enfuvirtide

The other characteristics of Enfuvirtide can be summarized as: (1)XLogP3-AA -14.7; (2)H-Bond Donor: 63; (3)H-Bond Acceptor: 66; (4)Rotatable Bond Count: 151; (5)Tautomer Count: 994; (6)Exact Mass: 4490.19; (7)MonoIsotopic Mass: 4489.186645; (8)Topological Polar Surface Area: 1900; (9)Heavy Atom Count: 319; (10)Formal Charge: 0; (11)Complexity: 11200; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 39; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

3. Structure Descriptors of Enfuvirtide

People can use the following data to convert to the molecule structure.
1. Smiles:N(C(=O)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(C)C)CO)Cc1c[nH]c2c1cccc2)CCCCN)CC(=O)O)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)O)CCC(=O)N)CCC(=O)O)CC(=O)N)CCCCN)CCC(=O)O)CCC(=O)N)CCC(=O)N)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)CCC(=O)O)[C@@H](C)CC)CC(C)C)CO)Cc1[nH]cnc1)[C@@H](C)CC)CC(C)C)CO)[C@@H](O)C)Cc1ccc(cc1)O
2. InChI:InChI=1/C206H304N52O66/c1-20-103(15)168(254-197(315)137(75-101(11)12)239-202(320)151(94-261)252-192(310)143(82-113-90-216-96-221-113)249-205(323)169(104(16)21-2)255-198(316)138(76-102(13)14)240-203(321)152(95-262)253-206(324)170(106(18)263)256-199(317)148(258-257-107(19)264)78-109-45-47-114(265)48-46-109)204(322)234-132(58-68-165(283)284)180(298)229-131(57-67-164(281)282)184(302)251-150(93-260)200(318)233-126(52-62-156(212)269)181(299)246-145(84-158(214)271)193(311)230-125(51-61-155(211)268)177(295)225-123(49-59-153(209)266)175(293)227-127(53-63-160(273)274)178(296)223-121(43-31-33-69-207)174(292)245-144(83-157(213)270)194(312)232-128(54-64-161(275)276)179(297)226-124(50-60-154(210)267)176(294)228-129(55-65-162(277)278)182(300)235-134(72-98(5)6)187(305)237-133(71-97(3)4)186(304)231-130(56-66-163(279)280)183(301)236-135(73-99(7)8)189(307)248-147(86-166(285)286)196(314)224-122(44-32-34-70-208)173(291)242-140(79-110-87-217-118-40-28-25-37-115(110)118)185(303)222-105(17)171(289)250-149(92-259)201(319)238-136(74-100(9)10)188(306)243-142(81-112-89-219-120-42-30-27-39-117(112)120)191(309)247-146(85-159(215)272)195(313)244-141(80-111-88-218-119-41-29-26-38-116(111)119)190(308)241-139(172(290)220-91-167(287)288)77-108-35-23-22-24-36-108/h22-30,35-42,45-48,87-90,96-106,121-152,168-170,217-219,258-263,265H,20-21,31-34,43-44,49-86,91-95,207-208H2,1-19H3,(H2,209,266)(H2,210,267)(H2,211,268)(H2,212,269)(H2,213,270)(H2,214,271)(H2,215,272)(H,216,221)(H,220,290)(H,222,303)(H,223,296)(H,224,314)(H,225,295)(H,226,297)(H,227,293)(H,228,294)(H,229,298)(H,230,311)(H,231,304)(H,232,312)(H,233,318)(H,234,322)(H,235,300)(H,236,301)(H,237,305)(H,238,319)(H,239,320)(H,240,321)(H,241,308)(H,242,291)(H,243,306)(H,244,313)(H,245,292)(H,246,299)(H,247,309)(H,248,307)(H,249,323)(H,250,289)(H,251,302)(H,252,310)(H,253,324)(H,254,315)(H,255,316)(H,256,317)(H,257,264)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)/t103-,104-,105-,106+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,168-,169-,170-/m0/s1

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