2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide

C147H201F18N26O13+5 — CID 158726167

IUPAC2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide
SMILESC[C@H](N)C(=O)CCC[N+](C)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccc2ccccc2c1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(F)c(F)c1F.O=C=O
InChIInChI=1S/C34H48N6O3.C31H40F3N5O2.2C27H35F6N5O2.C27H38F3N5O2.CO2/c1-25(36)32(41)15-9-20-40(2,21-18-35)19-8-13-29(37)34(43)39-31(17-16-26-10-4-3-5-11-26)33(42)23-27-22-28-12-6-7-14-30(28)38-24-27;1-39(17-14-35,18-15-36)16-4-7-26(37)31(41)38-27(28(40)20-24-11-12-25(32)30(34)29(24)33)13-9-21-8-10-22-5-2-3-6-23(22)19-21;2*1-38(13-10-34,14-11-35)12-2-3-21(36)26(40)37-22(15-17-4-7-19(8-5-17)27(31,32)33)23(39)16-18-6-9-20(28)25(30)24(18)29;1-35(16-13-31,17-14-32)15-5-8-22(33)27(37)34-23(12-9-19-6-3-2-4-7-19)24(36)18-20-10-11-21(28)26(30)25(20)29;2-1-3/h3-7,10-12,14,22,24-25,29,31H,8-9,13,15-21,23,35-37H2,1-2H3;2-3,5-6,8,10-12,19,26-27H,4,7,9,13-18,20,35-37H2,1H3;2*4-9,21-22H,2-3,10-16,34-36H2,1H3;2-4,6-7,10-11,22-23H,5,8-9,12-18,31-33H2,1H3;/p+5/t25-,29-,31-,40?;26-,27-;21-,22+;21-,22-;22-,23-;/m00000./s1
InChIKeyQWWPKZJGFZNCLI-JPMWCMJGSA-S
MW2882.36 g/mol
LogP11.72
Rot. Bonds81

About 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide

2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide (PubChem CID 158726167) has the molecular formula C147H201F18N26O13+5 and a molecular weight of 2882.36 g/mol. Its IUPAC name is 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide.

Molecular Properties

Compound Name2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide
PubChem CID158726167
Molecular FormulaC147H201F18N26O13+5
Molecular Weight2882.36 g/mol
Exact Mass2880.56
IUPAC Name2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide
SMILESC[C@H](N)C(=O)CCC[N+](C)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccc2ccccc2c1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(F)c(F)c1F.O=C=O
InChIInChI=1S/C34H48N6O3.C31H40F3N5O2.2C27H35F6N5O2.C27H38F3N5O2.CO2/c1-25(36)32(41)15-9-20-40(2,21-18-35)19-8-13-29(37)34(43)39-31(17-16-26-10-4-3-5-11-26)33(42)23-27-22-28-12-6-7-14-30(28)38-24-27;1-39(17-14-35,18-15-36)16-4-7-26(37)31(41)38-27(28(40)20-24-11-12-25(32)30(34)29(24)33)13-9-21-8-10-22-5-2-3-6-23(22)19-21;2*1-38(13-10-34,14-11-35)12-2-3-21(36)26(40)37-22(15-17-4-7-19(8-5-17)27(31,32)33)23(39)16-18-6-9-20(28)25(30)24(18)29;1-35(16-13-31,17-14-32)15-5-8-22(33)27(37)34-23(12-9-19-6-3-2-4-7-19)24(36)18-20-10-11-21(28)26(30)25(20)29;2-1-3/h3-7,10-12,14,22,24-25,29,31H,8-9,13,15-21,23,35-37H2,1-2H3;2-3,5-6,8,10-12,19,26-27H,4,7,9,13-18,20,35-37H2,1H3;2*4-9,21-22H,2-3,10-16,34-36H2,1H3;2-4,6-7,10-11,22-23H,5,8-9,12-18,31-33H2,1H3;/p+5/t25-,29-,31-,40?;26-,27-;21-,22+;21-,22-;22-,23-;/m00000./s1
InChIKeyQWWPKZJGFZNCLI-JPMWCMJGSA-S
XLogP11.72
TPSA685.25 Ų
H-Bond Donors20
H-Bond Acceptors29
Rotatable Bonds81
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002882.36
LogP ≤ 511.72
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide?
The IUPAC name of 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide (CID 158726167) is 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide.
What is the SMILES notation for 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide?
The canonical SMILES for 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide is C[C@H](N)C(=O)CCC[N+](C)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccc2ccccc2c1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(F)c(F)c1F.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(F)c(F)c1F.O=C=O.
What is the InChIKey of 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide?
The InChIKey is QWWPKZJGFZNCLI-JPMWCMJGSA-S. The full InChI is InChI=1S/C34H48N6O3.C31H40F3N5O2.2C27H35F6N5O2.C27H38F3N5O2.CO2/c1-25(36)32(41)15-9-20-40(2,21-18-35)19-8-13-29(37)34(43)39-31(17-16-26-10-4-3-5-11-26)33(42)23-27-22-28-12-6-7-14-30(28)38-24-27;1-39(17-14-35,18-15-36)16-4-7-26(37)31(41)38-27(28(40)20-24-11-12-25(32)30(34)29(24)33)13-9-21-8-10-22-5-2-3-6-23(22)19-21;2*1-38(13-10-34,14-11-35)12-2-3-21(36)26(40)37-22(15-17-4-7-19(8-5-17)27(31,32)33)23(39)16-18-6-9-20(28)25(30)24(18)29;1-35(16-13-31,17-14-32)15-5-8-22(33)27(37)34-23(12-9-19-6-3-2-4-7-19)24(36)18-20-10-11-21(28)26(30)25(20)29;2-1-3/h3-7,10-12,14,22,24-25,29,31H,8-9,13,15-21,23,35-37H2,1-2H3;2-3,5-6,8,10-12,19,26-27H,4,7,9,13-18,20,35-37H2,1H3;2*4-9,21-22H,2-3,10-16,34-36H2,1H3;2-4,6-7,10-11,22-23H,5,8-9,12-18,31-33H2,1H3;/p+5/t25-,29-,31-,40?;26-,27-;21-,22+;21-,22-;22-,23-;/m00000./s1.
What are the key properties of 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide?
2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide has a molecular weight of 2882.36 g/mol, XLogP of 11.72, 81 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide is sourced from PubChem (CID 158726167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).