(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide

C205H400N36O49 — CID 123889453

IUPAC(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide
SMILESNCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)CO
InChIInChI=1S/C205H400N36O49/c206-97-25-1-26-98-207-99-27-2-39-123-220-135-74-86-159(244)172(257)184(269)195(280)232-147-63-15-52-112-209-101-29-4-41-125-222-137-76-88-161(246)174(259)186(271)197(282)234-149-65-17-54-114-211-103-31-6-43-127-224-139-78-90-163(248)176(261)188(273)199(284)236-151-67-19-56-116-213-105-33-8-45-129-226-141-80-92-165(250)178(263)190(275)201(286)238-153-69-21-58-118-215-107-35-10-47-131-228-143-82-94-167(252)180(265)192(277)203(288)240-155-71-23-60-120-217-109-37-12-49-133-230-145-84-96-169(254)182(267)194(279)205(290)241-156-72-24-61-121-218-110-38-13-50-132-229-144-83-95-168(253)181(266)193(278)204(289)239-154-70-22-59-119-216-108-36-11-48-130-227-142-81-93-166(251)179(264)191(276)202(287)237-152-68-20-57-117-214-106-34-9-46-128-225-140-79-91-164(249)177(262)189(274)200(285)235-150-66-18-55-115-212-104-32-7-44-126-223-138-77-89-162(247)175(260)187(272)198(283)233-148-64-16-53-113-210-102-30-5-42-124-221-136-75-87-160(245)173(258)185(270)196(281)231-146-62-14-51-111-208-100-28-3-40-122-219-134-73-85-158(243)171(256)183(268)170(255)157-242/h171-194,207-230,242,256-279H,1-157,206H2,(H,231,281)(H,232,280)(H,233,283)(H,234,282)(H,235,285)(H,236,284)(H,237,287)(H,238,286)(H,239,289)(H,240,288)(H,241,290)/t171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+/m0/s1
InChIKeyUHIWEYFIQMXSKY-SCJKRTSYSA-N
MW4153.66 g/mol
LogP-4.12
Rot. Bonds228

About (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide

(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide (PubChem CID 123889453) has the molecular formula C205H400N36O49 and a molecular weight of 4153.66 g/mol. Its IUPAC name is (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide.

Molecular Properties

Compound Name(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide
PubChem CID123889453
Molecular FormulaC205H400N36O49
Molecular Weight4153.66 g/mol
Exact Mass4150.99
IUPAC Name(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide
SMILESNCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)CO
InChIInChI=1S/C205H400N36O49/c206-97-25-1-26-98-207-99-27-2-39-123-220-135-74-86-159(244)172(257)184(269)195(280)232-147-63-15-52-112-209-101-29-4-41-125-222-137-76-88-161(246)174(259)186(271)197(282)234-149-65-17-54-114-211-103-31-6-43-127-224-139-78-90-163(248)176(261)188(273)199(284)236-151-67-19-56-116-213-105-33-8-45-129-226-141-80-92-165(250)178(263)190(275)201(286)238-153-69-21-58-118-215-107-35-10-47-131-228-143-82-94-167(252)180(265)192(277)203(288)240-155-71-23-60-120-217-109-37-12-49-133-230-145-84-96-169(254)182(267)194(279)205(290)241-156-72-24-61-121-218-110-38-13-50-132-229-144-83-95-168(253)181(266)193(278)204(289)239-154-70-22-59-119-216-108-36-11-48-130-227-142-81-93-166(251)179(264)191(276)202(287)237-152-68-20-57-117-214-106-34-9-46-128-225-140-79-91-164(249)177(262)189(274)200(285)235-150-66-18-55-115-212-104-32-7-44-126-223-138-77-89-162(247)175(260)187(272)198(283)233-148-64-16-53-113-210-102-30-5-42-124-221-136-75-87-160(245)173(258)185(270)196(281)231-146-62-14-51-111-208-100-28-3-40-122-219-134-73-85-158(243)171(256)183(268)170(255)157-242/h171-194,207-230,242,256-279H,1-157,206H2,(H,231,281)(H,232,280)(H,233,283)(H,234,282)(H,235,285)(H,236,284)(H,237,287)(H,238,286)(H,239,289)(H,240,288)(H,241,290)/t171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+/m0/s1
InChIKeyUHIWEYFIQMXSKY-SCJKRTSYSA-N
XLogP-4.12
TPSA1362.50 Ų
H-Bond Donors61
H-Bond Acceptors74
Rotatable Bonds228
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004153.66
LogP ≤ 5-4.12
H-Bond Donors ≤ 561
H-Bond Acceptors ≤ 1074

Analyze (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide with MolForge

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Launch Full Analysis

Related Compounds

(5R,6R)-1-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-10-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-10-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]decyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-4,7-dioxodecyl]amino]pentylamino]-5,6-dihydroxy-10-[5-(propylamino)pentylamino]decane-4,7-dione
CID 123770035
methyl (2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-[5-[[(2R,3R)-4-(5-aminopentylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoyl]amino]pentylamino]-2,3-dihydroxy-4-oxobutanoate
CID 159020749
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CID 173398796
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CID 89146863
methyl (2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-(5-aminopentylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 158005955
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2R,3S,4S,5S)-6-(4-aminobutylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 10564681

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide?
The IUPAC name of (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide (CID 123889453) is (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide.
What is the SMILES notation for (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide?
The canonical SMILES for (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide is NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCNCCCCCNCCCC(=O)[C@H](O)[C@@H](O)C(=O)CO.
What is the InChIKey of (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide?
The InChIKey is UHIWEYFIQMXSKY-SCJKRTSYSA-N. The full InChI is InChI=1S/C205H400N36O49/c206-97-25-1-26-98-207-99-27-2-39-123-220-135-74-86-159(244)172(257)184(269)195(280)232-147-63-15-52-112-209-101-29-4-41-125-222-137-76-88-161(246)174(259)186(271)197(282)234-149-65-17-54-114-211-103-31-6-43-127-224-139-78-90-163(248)176(261)188(273)199(284)236-151-67-19-56-116-213-105-33-8-45-129-226-141-80-92-165(250)178(263)190(275)201(286)238-153-69-21-58-118-215-107-35-10-47-131-228-143-82-94-167(252)180(265)192(277)203(288)240-155-71-23-60-120-217-109-37-12-49-133-230-145-84-96-169(254)182(267)194(279)205(290)241-156-72-24-61-121-218-110-38-13-50-132-229-144-83-95-168(253)181(266)193(278)204(289)239-154-70-22-59-119-216-108-36-11-48-130-227-142-81-93-166(251)179(264)191(276)202(287)237-152-68-20-57-117-214-106-34-9-46-128-225-140-79-91-164(249)177(262)189(274)200(285)235-150-66-18-55-115-212-104-32-7-44-126-223-138-77-89-162(247)175(260)187(272)198(283)233-148-64-16-53-113-210-102-30-5-42-124-221-136-75-87-160(245)173(258)185(270)196(281)231-146-62-14-51-111-208-100-28-3-40-122-219-134-73-85-158(243)171(256)183(268)170(255)157-242/h171-194,207-230,242,256-279H,1-157,206H2,(H,231,281)(H,232,280)(H,233,283)(H,234,282)(H,235,285)(H,236,284)(H,237,287)(H,238,286)(H,239,289)(H,240,288)(H,241,290)/t171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+/m0/s1.
What are the key properties of (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide?
(2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide has a molecular weight of 4153.66 g/mol, XLogP of -4.12, 228 rotatable bonds, 61 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-7-[5-(5-aminopentylamino)pentylamino]-N-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-7-[5-[5-[[(5R,6R)-5,6-dihydroxy-4,7-dioxo-7-[5-[5-[[(5R,6R)-5,6,8-trihydroxy-4,7-dioxooctyl]amino]pentylamino]pentylamino]heptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentylamino]-5,6-dihydroxy-4,7-dioxoheptyl]amino]pentylamino]pentyl]-2,3-dihydroxy-4-oxoheptanamide is sourced from PubChem (CID 123889453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).