(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

C110H117N3O25 — CID 177469652

IUPAC(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OC(C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H]2O)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C110H117N3O25/c1-70(91(104(117)118)113-110(119)130-65-86-84-55-33-31-53-82(84)83-54-32-34-56-85(83)86)131-107-92(111-71(2)114)98(138-109-102(126-63-79-47-25-10-26-48-79)100(124-61-77-43-21-8-22-44-77)95(122-59-75-39-17-6-18-40-75)88(134-109)66-120-57-73-35-13-4-14-36-73)94(116)87(132-107)68-129-106-93(112-72(3)115)99(123-60-76-41-19-7-20-42-76)96(89(133-106)67-121-58-74-37-15-5-16-38-74)137-108-103(127-64-80-49-27-11-28-50-80)101(125-62-78-45-23-9-24-46-78)97-90(135-108)69-128-105(136-97)81-51-29-12-30-52-81/h4-56,70,86-103,105-109,116H,57-69H2,1-3H3,(H,111,114)(H,112,115)(H,113,119)(H,117,118)/t70?,87-,88-,89-,90-,91+,92-,93-,94+,95+,96-,97+,98-,99-,100+,101+,102-,103-,105?,106-,107+,108+,109+/m1/s1
InChIKeyQDJZDHHWXCLXBQ-SFSGZRKYSA-N
MW1881.14 g/mol
LogP14.50
Rot. Bonds43

About (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (PubChem CID 177469652) has the molecular formula C110H117N3O25 and a molecular weight of 1881.14 g/mol. Its IUPAC name is (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
PubChem CID177469652
Molecular FormulaC110H117N3O25
Molecular Weight1881.14 g/mol
Exact Mass1879.80
IUPAC Name(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OC(C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H]2O)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C110H117N3O25/c1-70(91(104(117)118)113-110(119)130-65-86-84-55-33-31-53-82(84)83-54-32-34-56-85(83)86)131-107-92(111-71(2)114)98(138-109-102(126-63-79-47-25-10-26-48-79)100(124-61-77-43-21-8-22-44-77)95(122-59-75-39-17-6-18-40-75)88(134-109)66-120-57-73-35-13-4-14-36-73)94(116)87(132-107)68-129-106-93(112-72(3)115)99(123-60-76-41-19-7-20-42-76)96(89(133-106)67-121-58-74-37-15-5-16-38-74)137-108-103(127-64-80-49-27-11-28-50-80)101(125-62-78-45-23-9-24-46-78)97-90(135-108)69-128-105(136-97)81-51-29-12-30-52-81/h4-56,70,86-103,105-109,116H,57-69H2,1-3H3,(H,111,114)(H,112,115)(H,113,119)(H,117,118)/t70?,87-,88-,89-,90-,91+,92-,93-,94+,95+,96-,97+,98-,99-,100+,101+,102-,103-,105?,106-,107+,108+,109+/m1/s1
InChIKeyQDJZDHHWXCLXBQ-SFSGZRKYSA-N
XLogP14.50
TPSA320.20 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.14
LogP ≤ 514.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic 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

methyl 2-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]acetate
CID 102012772
N-[(4aR,6R,7R,8R,8aS)-8-hydroxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 101116672
[(2S,3R,4R,5R,6R)-2-[(2R,3S,4S,5R,6S)-3-[(2R,3R,4S,5S,6R)-5-[[(2R,4aR,6S,7S,8R,8aS)-7-acetamido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-4-yl]oxy-3-acetamido-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 101438834
methyl (2S,3R)-3-[[(2R,4aR,6S,7S,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(phenylmethoxycarbonylamino)butanoate
CID 10580555
(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-7-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102244235
[(2S,3S,4S,5R,6R)-5-[(2S,3S,4S,5R,6R)-5-[(2S,3S,4S,5R,6R)-5-[[(2R,4aR,6S,7S,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6S)-6-[(2R,3R,4S,5S,6S)-6-[(2R,3R,4S,5S,6S)-6-[(2R,3R,4S,5S,6S)-6-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 71763800
methyl (2R,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11400562
benzyl (2S,3R)-3-[[(2S,4aR,6S,7R,8R,8aR)-7-azido-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 10952629
(4aR,6R,7R,8R,8aR)-6-methoxy-2-phenyl-8-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101206015
(2S)-2-[[(2S,4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
CID 40951068
(2R)-2-[[(2S,4aS,6R,7S,8S,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
CID 124645168
(2R)-2-[[(2R,4aS,6S,7R,8R,8aR)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
CID 98091953

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (CID 177469652) is (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OC(C)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H]2O)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The InChIKey is QDJZDHHWXCLXBQ-SFSGZRKYSA-N. The full InChI is InChI=1S/C110H117N3O25/c1-70(91(104(117)118)113-110(119)130-65-86-84-55-33-31-53-82(84)83-54-32-34-56-85(83)86)131-107-92(111-71(2)114)98(138-109-102(126-63-79-47-25-10-26-48-79)100(124-61-77-43-21-8-22-44-77)95(122-59-75-39-17-6-18-40-75)88(134-109)66-120-57-73-35-13-4-14-36-73)94(116)87(132-107)68-129-106-93(112-72(3)115)99(123-60-76-41-19-7-20-42-76)96(89(133-106)67-121-58-74-37-15-5-16-38-74)137-108-103(127-64-80-49-27-11-28-50-80)101(125-62-78-45-23-9-24-46-78)97-90(135-108)69-128-105(136-97)81-51-29-12-30-52-81/h4-56,70,86-103,105-109,116H,57-69H2,1-3H3,(H,111,114)(H,112,115)(H,113,119)(H,117,118)/t70?,87-,88-,89-,90-,91+,92-,93-,94+,95+,96-,97+,98-,99-,100+,101+,102-,103-,105?,106-,107+,108+,109+/m1/s1.
What are the key properties of (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid has a molecular weight of 1881.14 g/mol, XLogP of 14.50, 43 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 177469652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).