Fuzeon
C204H301N51O64 — CID 126456160
View drug profile → enfuvirtideData last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(4S)-5-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1,4-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-iminobutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]butylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-5-hydroxypentanoic acid
SMILES[H]/N=C(\O)CC[C@H](/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](C/C(O)=N/[H])/N=C(\O)[C@H](CCCCN)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](C/C(O)=N/[H])/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1ccc(O)cc1)/N=C(\C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](CCCCN)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[H]
InChIInChI=1S/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,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-,166-,167-,168-/m0/s1
InChIKeyPEASPLKKXBYDKL-FXEVSJAOSA-N
MW4491.94 g/mol
LogP23.27
Rot. Bonds151
About Fuzeon
Fuzeon (PubChem CID 126456160) has the molecular formula C204H301N51O64 and a molecular weight of 4491.94 g/mol. Its IUPAC name is (4S)-5-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1,4-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-iminobutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]butylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-5-hydroxypentanoic acid.
Molecular Properties
| Compound Name | Fuzeon |
|---|---|
| PubChem CID | 126456160 |
| Molecular Formula | C204H301N51O64 |
| Molecular Weight | 4491.94 g/mol |
| Exact Mass | 4489.19 |
| IUPAC Name | (4S)-5-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1,4-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-iminobutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]butylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-5-hydroxypentanoic acid |
| SMILES | [H]/N=C(\O)CC[C@H](/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](C/C(O)=N/[H])/N=C(\O)[C@H](CCCCN)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](C/C(O)=N/[H])/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1ccc(O)cc1)/N=C(\C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](CCCCN)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[H] |
| InChI | InChI=1S/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,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-,166-,167-,168-/m0/s1 |
| InChIKey | PEASPLKKXBYDKL-FXEVSJAOSA-N |
| XLogP | 23.27 |
| TPSA | 2036.45 Ų |
| H-Bond Donors | 71 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 151 |
| Heavy Atoms | 319 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4491.94 |
| LogP ≤ 5 | 23.27 |
| H-Bond Donors ≤ 5 | 71 |
| H-Bond Acceptors ≤ 10 | 60 |
Related Compounds
Frequently Asked Questions
What is the IUPAC name of Fuzeon?
The IUPAC name of Fuzeon (CID 126456160) is (4S)-5-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1,4-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-iminobutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxyhexan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]butylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-5-hydroxypentanoic acid.
What is the SMILES notation for Fuzeon?
The canonical SMILES for Fuzeon is [H]/N=C(\O)CC[C@H](/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](C/C(O)=N/[H])/N=C(\O)[C@H](CCCCN)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](C/C(O)=N/[H])/N=C(\O)[C@H](CC/C(O)=N/[H])/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@@H](/N=C(\O)[C@H](CC(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](/N=C(\O)[C@H](Cc1ccc(O)cc1)/N=C(\C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](CCCCN)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(C)C)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[H].
What is the InChIKey of Fuzeon?
The InChIKey is PEASPLKKXBYDKL-FXEVSJAOSA-N. The full InChI is InChI=1S/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,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-,166-,167-,168-/m0/s1.
What are the key properties of Fuzeon?
Fuzeon has a molecular weight of 4491.94 g/mol, XLogP of 23.27, 151 rotatable bonds, 71 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for Fuzeon is sourced from PubChem (CID 126456160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules: F · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 126456160 — identifiers, structure, computed properties (public domain)
- DrugCentral drug card 1010 — approved-drug record (CC BY-SA 4.0)
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