6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid

C70H116N14O39 — CID 168511220

IUPAC6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid
SMILESCC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC(N)C(=O)O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC1C(NC(C)=O)C(O)OC(CO)C1OC1OC(CO)C(O)C(O)C1N)C(=O)O)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O
InChIInChI=1S/C70H116N14O39/c1-23(74-58(100)27(5)116-53-45(78-29(7)89)67(114)118-39(21-87)51(53)122-69-43(72)49(95)47(93)37(19-85)120-69)55(97)83-35(65(110)111)15-17-41(91)80-32(12-9-11-31(71)63(106)107)60(102)76-25(3)57(99)82-34(64(108)109)14-10-13-33(61(103)77-26(4)62(104)105)81-42(92)18-16-36(66(112)113)84-56(98)24(2)75-59(101)28(6)117-54-46(79-30(8)90)68(115)119-40(22-88)52(54)123-70-44(73)50(96)48(94)38(20-86)121-70/h23-28,31-40,43-54,67-70,85-88,93-96,114-115H,9-22,71-73H2,1-8H3,(H,74,100)(H,75,101)(H,76,102)(H,77,103)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,99)(H,83,97)(H,84,98)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)
InChIKeyYESBUVHGEJRMDC-UHFFFAOYSA-N
MW1777.76 g/mol
LogP-14.64
Rot. Bonds49

About 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid

6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid (PubChem CID 168511220) has the molecular formula C70H116N14O39 and a molecular weight of 1777.76 g/mol. Its IUPAC name is 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid.

Molecular Properties

Compound Name6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid
PubChem CID168511220
Molecular FormulaC70H116N14O39
Molecular Weight1777.76 g/mol
Exact Mass1776.75
IUPAC Name6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid
SMILESCC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC(N)C(=O)O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC1C(NC(C)=O)C(O)OC(CO)C1OC1OC(CO)C(O)C(O)C1N)C(=O)O)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O
InChIInChI=1S/C70H116N14O39/c1-23(74-58(100)27(5)116-53-45(78-29(7)89)67(114)118-39(21-87)51(53)122-69-43(72)49(95)47(93)37(19-85)120-69)55(97)83-35(65(110)111)15-17-41(91)80-32(12-9-11-31(71)63(106)107)60(102)76-25(3)57(99)82-34(64(108)109)14-10-13-33(61(103)77-26(4)62(104)105)81-42(92)18-16-36(66(112)113)84-56(98)24(2)75-59(101)28(6)117-54-46(79-30(8)90)68(115)119-40(22-88)52(54)123-70-44(73)50(96)48(94)38(20-86)121-70/h23-28,31-40,43-54,67-70,85-88,93-96,114-115H,9-22,71-73H2,1-8H3,(H,74,100)(H,75,101)(H,76,102)(H,77,103)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,99)(H,83,97)(H,84,98)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)
InChIKeyYESBUVHGEJRMDC-UHFFFAOYSA-N
XLogP-14.64
TPSA860.80 Ų
H-Bond Donors29
H-Bond Acceptors37
Rotatable Bonds49
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.76
LogP ≤ 5-14.64
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1037

Analyze 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoic acid
CID 101490317
(2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-6-aminoheptanedioic acid
CID 172880178
(2S)-2-[[(4R)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-6-aminoheptanedioic acid
CID 52940130
6-[[4-[2-[2-[3-acetamido-5-[3-acetamido-5-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(1-carboxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-2-amino-7-(1-carboxyethylamino)-7-oxoheptanoic acid
CID 168511074
6-[[4-[2-[2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-2-amino-7-(carboxymethylamino)-7-oxoheptanoic acid
CID 168511253
2-[2-[2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-[2-(2-aminopropanoylamino)propanoylamino]-1-(1-carboxyethylamino)-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 168511109
2-[2-[2-[3-acetamido-5-[3-acetamido-5-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[1-[[1-[[4-[[3-(2-amino-2-carboxyethyl)sulfanyl-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[3-(2-amino-2-carboxyethyl)sulfanyl-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 168511148
(6R)-2-[[(4S)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-6,7-diamino-7-oxoheptanoic acid
CID 5491013
(2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2S,3R,4S,5R,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-6,7-diamino-7-oxoheptanoic acid
CID 162976979
(2S,6R)-6-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(1S)-1-carboxyethyl]amino]-7-oxoheptanoic acid
CID 50918844
2-[2-[[2-[[4-[2-[2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-(2-aminopropanoylamino)hexanoyl]amino]propanoylamino]propanoic acid
CID 168511093
4-[[1-[[4-[[4-[2-[2-[3-acetamido-5-[3-acetamido-5-[3-acetamido-4-[1-[[1-[[1-amino-5-[[5-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-hydroxypropanoyl]amino]-1-(1-carboxyethylamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-5-(1-carboxyethylamino)-5-oxopentyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-amino-4-oxobutanoic acid
CID 168511182

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid?
The IUPAC name of 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid (CID 168511220) is 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid.
What is the SMILES notation for 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid?
The canonical SMILES for 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid is CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC(N)C(=O)O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC1C(NC(C)=O)C(O)OC(CO)C1OC1OC(CO)C(O)C(O)C1N)C(=O)O)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O.
What is the InChIKey of 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid?
The InChIKey is YESBUVHGEJRMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H116N14O39/c1-23(74-58(100)27(5)116-53-45(78-29(7)89)67(114)118-39(21-87)51(53)122-69-43(72)49(95)47(93)37(19-85)120-69)55(97)83-35(65(110)111)15-17-41(91)80-32(12-9-11-31(71)63(106)107)60(102)76-25(3)57(99)82-34(64(108)109)14-10-13-33(61(103)77-26(4)62(104)105)81-42(92)18-16-36(66(112)113)84-56(98)24(2)75-59(101)28(6)117-54-46(79-30(8)90)68(115)119-40(22-88)52(54)123-70-44(73)50(96)48(94)38(20-86)121-70/h23-28,31-40,43-54,67-70,85-88,93-96,114-115H,9-22,71-73H2,1-8H3,(H,74,100)(H,75,101)(H,76,102)(H,77,103)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,99)(H,83,97)(H,84,98)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113).
What are the key properties of 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid?
6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid has a molecular weight of 1777.76 g/mol, XLogP of -14.64, 49 rotatable bonds, 29 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-7-[[1-[[5-[[4-[2-[2-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-4-carboxybutanoyl]amino]-1-carboxy-6-(1-carboxyethylamino)-6-oxohexyl]amino]-1-oxopropan-2-yl]amino]-2-amino-7-oxoheptanoic acid is sourced from PubChem (CID 168511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).