N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide

C123H172GaInN28O33 — CID 162223875

IUPACN-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide
SMILES[H]/N=C(\N)CCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=C)C4)OC(=O)C3)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O.[H]/N=C(\N)CCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[In](OC(=O)C3)OC(=O)C4)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
InChIInChI=1S/C62H90N14O16.C61H88N14O17.Ga.In/c1-42(77)37-73-21-25-75(39-57(83)84)27-23-74(24-28-76(26-22-73)40-58(85)86)38-55(81)66-20-29-91-30-31-92-41-56(82)67-35-53(79)65-19-7-11-51-61(89)70-48(10-5-6-12-52(63)64)60(88)71-49(34-44-13-16-45-8-3-4-9-46(45)32-44)59(87)68-36-54(80)69-50(62(90)72(51)2)33-43-14-17-47(78)18-15-43;1-71-49(10-6-18-64-51(77)34-66-54(80)40-92-30-29-91-28-19-65-53(79)36-72-20-22-73(37-55(81)82)24-26-75(39-57(85)86)27-25-74(23-21-72)38-56(83)84)60(89)69-46(9-4-5-11-50(62)63)59(88)70-47(33-42-12-15-43-7-2-3-8-44(43)31-42)58(87)67-35-52(78)68-48(61(71)90)32-41-13-16-45(76)17-14-41;;/h3-4,8-9,13-18,32,48-51,77-78H,1,5-7,10-12,19-31,33-41H2,2H3,(H3,63,64)(H,65,79)(H,66,81)(H,67,82)(H,68,87)(H,69,80)(H,70,89)(H,71,88)(H,83,84)(H,85,86);2-3,7-8,12-17,31,46-49,76H,4-6,9-11,18-30,32-40H2,1H3,(H3,62,63)(H,64,77)(H,65,79)(H,66,80)(H,67,87)(H,68,78)(H,69,89)(H,70,88)(H,81,82)(H,83,84)(H,85,86);;/q;;2*+3/p-6/t48-,49-,50+,51+;46-,47-,48+,49+;;/m00../s1
InChIKeyZUMMJBPMJNLLOJ-LBSKDUDNSA-H
MW2755.43 g/mol
LogP-6.49
Rot. Bonds50

About N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide

N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide (PubChem CID 162223875) has the molecular formula C123H172GaInN28O33 and a molecular weight of 2755.43 g/mol. Its IUPAC name is N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide
PubChem CID162223875
Molecular FormulaC123H172GaInN28O33
Molecular Weight2755.43 g/mol
Exact Mass2753.09
IUPAC NameN-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide
SMILES[H]/N=C(\N)CCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=C)C4)OC(=O)C3)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O.[H]/N=C(\N)CCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[In](OC(=O)C3)OC(=O)C4)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
InChIInChI=1S/C62H90N14O16.C61H88N14O17.Ga.In/c1-42(77)37-73-21-25-75(39-57(83)84)27-23-74(24-28-76(26-22-73)40-58(85)86)38-55(81)66-20-29-91-30-31-92-41-56(82)67-35-53(79)65-19-7-11-51-61(89)70-48(10-5-6-12-52(63)64)60(88)71-49(34-44-13-16-45-8-3-4-9-46(45)32-44)59(87)68-36-54(80)69-50(62(90)72(51)2)33-43-14-17-47(78)18-15-43;1-71-49(10-6-18-64-51(77)34-66-54(80)40-92-30-29-91-28-19-65-53(79)36-72-20-22-73(37-55(81)82)24-26-75(39-57(85)86)27-25-74(23-21-72)38-56(83)84)60(89)69-46(9-4-5-11-50(62)63)59(88)70-47(33-42-12-15-43-7-2-3-8-44(43)31-42)58(87)67-35-52(78)68-48(61(71)90)32-41-13-16-45(76)17-14-41;;/h3-4,8-9,13-18,32,48-51,77-78H,1,5-7,10-12,19-31,33-41H2,2H3,(H3,63,64)(H,65,79)(H,66,81)(H,67,82)(H,68,87)(H,69,80)(H,70,89)(H,71,88)(H,83,84)(H,85,86);2-3,7-8,12-17,31,46-49,76H,4-6,9-11,18-30,32-40H2,1H3,(H3,62,63)(H,64,77)(H,65,79)(H,66,80)(H,67,87)(H,68,78)(H,69,89)(H,70,88)(H,81,82)(H,83,84)(H,85,86);;/q;;2*+3/p-6/t48-,49-,50+,51+;46-,47-,48+,49+;;/m00../s1
InChIKeyZUMMJBPMJNLLOJ-LBSKDUDNSA-H
XLogP-6.49
TPSA791.79 Ų
H-Bond Donors20
H-Bond Acceptors43
Rotatable Bonds50
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002755.43
LogP ≤ 5-6.49
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide 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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide?
The IUPAC name of N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide (CID 162223875) is N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide?
The canonical SMILES for N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide is [H]/N=C(\N)CCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=C)C4)OC(=O)C3)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O.[H]/N=C(\N)CCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[In](OC(=O)C3)OC(=O)C4)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O.
What is the InChIKey of N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide?
The InChIKey is ZUMMJBPMJNLLOJ-LBSKDUDNSA-H. The full InChI is InChI=1S/C62H90N14O16.C61H88N14O17.Ga.In/c1-42(77)37-73-21-25-75(39-57(83)84)27-23-74(24-28-76(26-22-73)40-58(85)86)38-55(81)66-20-29-91-30-31-92-41-56(82)67-35-53(79)65-19-7-11-51-61(89)70-48(10-5-6-12-52(63)64)60(88)71-49(34-44-13-16-45-8-3-4-9-46(45)32-44)59(87)68-36-54(80)69-50(62(90)72(51)2)33-43-14-17-47(78)18-15-43;1-71-49(10-6-18-64-51(77)34-66-54(80)40-92-30-29-91-28-19-65-53(79)36-72-20-22-73(37-55(81)82)24-26-75(39-57(85)86)27-25-74(23-21-72)38-56(83)84)60(89)69-46(9-4-5-11-50(62)63)59(88)70-47(33-42-12-15-43-7-2-3-8-44(43)31-42)58(87)67-35-52(78)68-48(61(71)90)32-41-13-16-45(76)17-14-41;;/h3-4,8-9,13-18,32,48-51,77-78H,1,5-7,10-12,19-31,33-41H2,2H3,(H3,63,64)(H,65,79)(H,66,81)(H,67,82)(H,68,87)(H,69,80)(H,70,89)(H,71,88)(H,83,84)(H,85,86);2-3,7-8,12-17,31,46-49,76H,4-6,9-11,18-30,32-40H2,1H3,(H3,62,63)(H,64,77)(H,65,79)(H,66,80)(H,67,87)(H,68,78)(H,69,89)(H,70,88)(H,81,82)(H,83,84)(H,85,86);;/q;;2*+3/p-6/t48-,49-,50+,51+;46-,47-,48+,49+;;/m00../s1.
What are the key properties of N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide?
N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide has a molecular weight of 2755.43 g/mol, XLogP of -6.49, 50 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(16-methylidene-3,19-dioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-gallatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide;N-[3-[(2R,5S,8S,14R)-5-(5-amino-5-iminopentyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-2-[[2-[2-[2-[[2-(3,16,19-trioxo-2,17,18-trioxa-5,8,11,14-tetraza-1-indatricyclo[9.6.3.25,14]docosan-8-yl)acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetamide is sourced from PubChem (CID 162223875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).