(2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide

C133H199F3N16O30 — CID 167612703

About (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide

(2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide (PubChem CID 167612703) has the molecular formula C133H199F3N16O30 and a molecular weight of 2559.13 g/mol. Its IUPAC name is (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide.

Molecular Properties

• Compound Name: (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide
• PubChem CID: 167612703
• Molecular Formula: C133H199F3N16O30
• Molecular Weight: 2559.13 g/mol
• Exact Mass: 2557.45
• IUPAC Name: (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)C[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)C[C@@H](C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H]1C(=O)C[C@@H](C)C(=O)NC2(CC2CC(C)F)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC.[C-]#[N+]c1ccc(C[C@@H](CC)C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)C[C@@H](C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H]2C(=O)C[C@@H](C)C(=O)N[C@@]3(C[C@H]3CC(C)F)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]2C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)cc1
• InChI: InChI=1S/C68H100F2N8O15.C65H99FN8O15/c1-12-35(5)49(31-52(81)51(24-25-56(72)85)73-62(87)45(33-79)29-55(84)58(37(7)14-3)75-65(90)50(71)28-42-16-18-43(19-17-42)44-20-22-48(70)23-21-44)64(89)74-57(36(6)13-2)54(83)30-46(34-80)63(88)76-60-41(11)93-66(91)59(38(8)15-4)77-67(92)68(32-47(68)27-40(10)69)78-61(86)39(9)26-53(60)82;1-14-34(6)47(30-49(77)48(23-24-53(67)81)69-60(84)43(32-75)28-51(79)54(35(7)15-2)70-59(83)42(18-5)27-41-19-21-46(68-13)22-20-41)62(86)71-55(36(8)16-3)52(80)29-44(33-76)61(85)72-57-40(12)89-63(87)56(37(9)17-4)73-64(88)65(31-45(65)26-39(11)66)74-58(82)38(10)25-50(57)78/h16-23,35-41,45-47,49-51,57-60,79-80H,12-15,24-34,71H2,1-11H3,(H2,72,85)(H,73,87)(H,74,89)(H,75,90)(H,76,88)(H,77,92)(H,78,86);19-22,34-40,42-45,47-48,54-57,75-76H,14-18,23-33H2,1-12H3,(H2,67,81)(H,69,84)(H,70,83)(H,71,86)(H,72,85)(H,73,88)(H,74,82)/t35-,36-,37-,38-,39+,40?,41-,45-,46-,47?,49+,50+,51+,57-,58-,59-,60+,68?;34-,35-,36-,37-,38+,39?,40-,42+,43-,44-,45+,47+,48+,54-,55-,56-,57+,65+/m00/s1
• InChIKey: LHDLNRQTLCUCOG-QHCMWXLJSA-N
• XLogP: 8.67
• TPSA: 735.84 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 70
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.13
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide?

The IUPAC name of (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide (CID 167612703) is (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide.

What is the SMILES notation for (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide?

The canonical SMILES for (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide is CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)C[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)C[C@@H](C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H]1C(=O)C[C@@H](C)C(=O)NC2(CC2CC(C)F)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC.[C-]#[N+]c1ccc(C[C@@H](CC)C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)C[C@@H](C(=O)N[C@H](C(=O)C[C@@H](CO)C(=O)N[C@H]2C(=O)C[C@@H](C)C(=O)N[C@@]3(C[C@H]3CC(C)F)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]2C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)cc1.

What is the InChIKey of (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide?

The InChIKey is LHDLNRQTLCUCOG-QHCMWXLJSA-N. The full InChI is InChI=1S/C68H100F2N8O15.C65H99FN8O15/c1-12-35(5)49(31-52(81)51(24-25-56(72)85)73-62(87)45(33-79)29-55(84)58(37(7)14-3)75-65(90)50(71)28-42-16-18-43(19-17-42)44-20-22-48(70)23-21-44)64(89)74-57(36(6)13-2)54(83)30-46(34-80)63(88)76-60-41(11)93-66(91)59(38(8)15-4)77-67(92)68(32-47(68)27-40(10)69)78-61(86)39(9)26-53(60)82;1-14-34(6)47(30-49(77)48(23-24-53(67)81)69-60(84)43(32-75)28-51(79)54(35(7)15-2)70-59(83)42(18-5)27-41-19-21-46(68-13)22-20-41)62(86)71-55(36(8)16-3)52(80)29-44(33-76)61(85)72-57-40(12)89-63(87)56(37(9)17-4)73-64(88)65(31-45(65)26-39(11)66)74-58(82)38(10)25-50(57)78/h16-23,35-41,45-47,49-51,57-60,79-80H,12-15,24-34,71H2,1-11H3,(H2,72,85)(H,73,87)(H,74,89)(H,75,90)(H,76,88)(H,77,92)(H,78,86);19-22,34-40,42-45,47-48,54-57,75-76H,14-18,23-33H2,1-12H3,(H2,67,81)(H,69,84)(H,70,83)(H,71,86)(H,72,85)(H,73,88)(H,74,82)/t35-,36-,37-,38-,39+,40?,41-,45-,46-,47?,49+,50+,51+,57-,58-,59-,60+,68?;34-,35-,36-,37-,38+,39?,40-,42+,43-,44-,45+,47+,48+,54-,55-,56-,57+,65+/m00/s1.

What are the key properties of (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide?

(2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide has a molecular weight of 2559.13 g/mol, XLogP of 8.67, 70 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-5-[[(2S,5S,6S)-5-[[(2R)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]amino]-2-(hydroxymethyl)-6-methyl-4-oxooctanoyl]amino]-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-4-oxooctanediamide;(2R,5R)-2-[(2S)-butan-2-yl]-N-[(3S,4S,7S)-8-[[(2S,3R,6R,9R,10S,13S)-13-[(2S)-butan-2-yl]-2-(2-fluoropropyl)-6,10-dimethyl-5,8,12,15-tetraoxo-11-oxa-4,14-diazaspiro[2.12]pentadecan-9-yl]amino]-7-(hydroxymethyl)-3-methyl-5,8-dioxooctan-4-yl]-5-[[(2S,5S,6S)-2-(hydroxymethyl)-5-[[(2R)-2-[(4-isocyanophenyl)methyl]butanoyl]amino]-6-methyl-4-oxooctanoyl]amino]-4-oxooctanediamide is sourced from PubChem (CID 167612703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).