ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate

C197H300N28O62 — CID 167423894

IUPACditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate
SMILESCC(C)(C)OC(=O)CCC(NC(=O)CNC(=O)CCC(NC(=O)CCC(NC(=O)CNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CNC(=O)CCC(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C197H300N28O62/c1-182(2,3)272-156(244)90-75-130(172(260)280-190(25,26)27)215-146(234)100-200-138(226)83-68-123(165(253)205-105-151(239)219-134(176(264)284-194(37,38)39)79-94-160(248)276-186(13,14)15)210-143(231)88-73-128(169(257)223-125(167(255)207-107-153(241)221-136(178(266)286-196(43,44)45)81-96-162(250)278-188(19,20)21)70-85-140(228)202-102-148(236)217-132(174(262)282-192(31,32)33)77-92-158(246)274-184(7,8)9)213-150(238)104-204-164(252)122(67-57-58-98-198-180(268)270-110-120-116-63-53-49-59-112(116)113-60-50-54-64-117(113)120)212-145(233)99-199-142(230)87-72-127(214-155(243)109-209-181(269)271-111-121-118-65-55-51-61-114(118)115-62-52-56-66-119(115)121)170(258)225-129(171(259)224-126(168(256)208-108-154(242)222-137(179(267)287-197(46,47)48)82-97-163(251)279-189(22,23)24)71-86-141(229)203-103-149(237)218-133(175(263)283-193(34,35)36)78-93-159(247)275-185(10,11)12)74-89-144(232)211-124(166(254)206-106-152(240)220-135(177(265)285-195(40,41)42)80-95-161(249)277-187(16,17)18)69-84-139(227)201-101-147(235)216-131(173(261)281-191(28,29)30)76-91-157(245)273-183(4,5)6/h49-56,59-66,120-137H,57-58,67-111H2,1-48H3,(H,198,268)(H,199,230)(H,200,226)(H,201,227)(H,202,228)(H,203,229)(H,204,252)(H,205,253)(H,206,254)(H,207,255)(H,208,256)(H,209,269)(H,210,231)(H,211,232)(H,212,233)(H,213,238)(H,214,243)(H,215,234)(H,216,235)(H,217,236)(H,218,237)(H,219,239)(H,220,240)(H,221,241)(H,222,242)(H,223,257)(H,224,259)(H,225,258)
InChIKeyNUHYAJYZQCIHPR-UHFFFAOYSA-N
MW4052.70 g/mol
LogP7.32
Rot. Bonds108

About ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate

ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate (PubChem CID 167423894) has the molecular formula C197H300N28O62 and a molecular weight of 4052.70 g/mol. Its IUPAC name is ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate.

Molecular Properties

Compound Nameditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate
PubChem CID167423894
Molecular FormulaC197H300N28O62
Molecular Weight4052.70 g/mol
Exact Mass4050.12
IUPAC Nameditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate
SMILESCC(C)(C)OC(=O)CCC(NC(=O)CNC(=O)CCC(NC(=O)CCC(NC(=O)CNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CNC(=O)CCC(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C197H300N28O62/c1-182(2,3)272-156(244)90-75-130(172(260)280-190(25,26)27)215-146(234)100-200-138(226)83-68-123(165(253)205-105-151(239)219-134(176(264)284-194(37,38)39)79-94-160(248)276-186(13,14)15)210-143(231)88-73-128(169(257)223-125(167(255)207-107-153(241)221-136(178(266)286-196(43,44)45)81-96-162(250)278-188(19,20)21)70-85-140(228)202-102-148(236)217-132(174(262)282-192(31,32)33)77-92-158(246)274-184(7,8)9)213-150(238)104-204-164(252)122(67-57-58-98-198-180(268)270-110-120-116-63-53-49-59-112(116)113-60-50-54-64-117(113)120)212-145(233)99-199-142(230)87-72-127(214-155(243)109-209-181(269)271-111-121-118-65-55-51-61-114(118)115-62-52-56-66-119(115)121)170(258)225-129(171(259)224-126(168(256)208-108-154(242)222-137(179(267)287-197(46,47)48)82-97-163(251)279-189(22,23)24)71-86-141(229)203-103-149(237)218-133(175(263)283-193(34,35)36)78-93-159(247)275-185(10,11)12)74-89-144(232)211-124(166(254)206-106-152(240)220-135(177(265)285-195(40,41)42)80-95-161(249)277-187(16,17)18)69-84-139(227)201-101-147(235)216-131(173(261)281-191(28,29)30)76-91-157(245)273-183(4,5)6/h49-56,59-66,120-137H,57-58,67-111H2,1-48H3,(H,198,268)(H,199,230)(H,200,226)(H,201,227)(H,202,228)(H,203,229)(H,204,252)(H,205,253)(H,206,254)(H,207,255)(H,208,256)(H,209,269)(H,210,231)(H,211,232)(H,212,233)(H,213,238)(H,214,243)(H,215,234)(H,216,235)(H,217,236)(H,218,237)(H,219,239)(H,220,240)(H,221,241)(H,222,242)(H,223,257)(H,224,259)(H,225,258)
InChIKeyNUHYAJYZQCIHPR-UHFFFAOYSA-N
XLogP7.32
TPSA1254.06 Ų
H-Bond Donors28
H-Bond Acceptors62
Rotatable Bonds108
Heavy Atoms287
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004052.70
LogP ≤ 57.32
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1062

Analyze ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate?
The IUPAC name of ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate (CID 167423894) is ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate.
What is the SMILES notation for ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate?
The canonical SMILES for ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate is CC(C)(C)OC(=O)CCC(NC(=O)CNC(=O)CCC(NC(=O)CCC(NC(=O)CNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CNC(=O)CCC(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate?
The InChIKey is NUHYAJYZQCIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C197H300N28O62/c1-182(2,3)272-156(244)90-75-130(172(260)280-190(25,26)27)215-146(234)100-200-138(226)83-68-123(165(253)205-105-151(239)219-134(176(264)284-194(37,38)39)79-94-160(248)276-186(13,14)15)210-143(231)88-73-128(169(257)223-125(167(255)207-107-153(241)221-136(178(266)286-196(43,44)45)81-96-162(250)278-188(19,20)21)70-85-140(228)202-102-148(236)217-132(174(262)282-192(31,32)33)77-92-158(246)274-184(7,8)9)213-150(238)104-204-164(252)122(67-57-58-98-198-180(268)270-110-120-116-63-53-49-59-112(116)113-60-50-54-64-117(113)120)212-145(233)99-199-142(230)87-72-127(214-155(243)109-209-181(269)271-111-121-118-65-55-51-61-114(118)115-62-52-56-66-119(115)121)170(258)225-129(171(259)224-126(168(256)208-108-154(242)222-137(179(267)287-197(46,47)48)82-97-163(251)279-189(22,23)24)71-86-141(229)203-103-149(237)218-133(175(263)283-193(34,35)36)78-93-159(247)275-185(10,11)12)74-89-144(232)211-124(166(254)206-106-152(240)220-135(177(265)285-195(40,41)42)80-95-161(249)277-187(16,17)18)69-84-139(227)201-101-147(235)216-131(173(261)281-191(28,29)30)76-91-157(245)273-183(4,5)6/h49-56,59-66,120-137H,57-58,67-111H2,1-48H3,(H,198,268)(H,199,230)(H,200,226)(H,201,227)(H,202,228)(H,203,229)(H,204,252)(H,205,253)(H,206,254)(H,207,255)(H,208,256)(H,209,269)(H,210,231)(H,211,232)(H,212,233)(H,213,238)(H,214,243)(H,215,234)(H,216,235)(H,217,236)(H,218,237)(H,219,239)(H,220,240)(H,221,241)(H,222,242)(H,223,257)(H,224,259)(H,225,258).
What are the key properties of ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate?
ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate has a molecular weight of 4052.70 g/mol, XLogP of 7.32, 108 rotatable bonds, 28 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-[[2-[[4-[[4-[[2-[[2-[[2-[[5-[[1,5-bis[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]acetyl]amino]-5-[[1,5-bis[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[2-[[1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioate is sourced from PubChem (CID 167423894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).