(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide

C141H173F12N35O16 — CID 158071969

IUPAC(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide
SMILESCN(C(=O)[C@@H](N)CCC(=O)N(CCN)CCN)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](C(=O)Nc1cnc2ccccc2c1)[C@H](O)Cc1cccc(C(F)(F)F)c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C29H36F3N7O4.C29H36F3N7O3.C28H34F3N7O3.C28H32F3N7O3.C27H35N7O3/c30-29(31,32)20-6-3-4-18(14-20)15-24(40)26(28(43)37-21-16-19-5-1-2-7-23(19)36-17-21)38-27(42)22(35)8-9-25(41)39(12-10-33)13-11-34;1-38(28(42)23(35)10-11-26(40)39(14-12-33)15-13-34)25(16-19-6-8-21(9-7-19)29(30,31)32)27(41)37-22-17-20-4-2-3-5-24(20)36-18-22;2*29-28(30,31)20-7-5-18(6-8-20)15-24(27(41)36-21-16-19-3-1-2-4-23(19)35-17-21)37-26(40)22(34)9-10-25(39)38(13-11-32)14-12-33;28-12-14-34(15-13-29)25(35)17-22(30)26(36)33-24(11-10-19-6-2-1-3-7-19)27(37)32-21-16-20-8-4-5-9-23(20)31-18-21/h1-7,14,16-17,22,24,26,40H,8-13,15,33-35H2,(H,37,43)(H,38,42);2-9,17-18,23,25H,10-16,33-35H2,1H3,(H,37,41);1-8,16-17,22,24H,9-15,32-34H2,(H,36,41)(H,37,40);1-8,15-17,22H,9-14,32-34H2,(H,36,41)(H,37,40);1-9,16,18,22,24H,10-15,17,28-30H2,(H,32,37)(H,33,36)/b;;;24-15+;/t22-,24+,26-;23-,25-;22-,24+;22-;22-,24-/m00000/s1
InChIKeyFLXVDGKUGCDANK-TZIOROOKSA-N
MW2842.14 g/mol
LogP7.98
Rot. Bonds65

About (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide

(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide (PubChem CID 158071969) has the molecular formula C141H173F12N35O16 and a molecular weight of 2842.14 g/mol. Its IUPAC name is (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide
PubChem CID158071969
Molecular FormulaC141H173F12N35O16
Molecular Weight2842.14 g/mol
Exact Mass2840.36
IUPAC Name(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide
SMILESCN(C(=O)[C@@H](N)CCC(=O)N(CCN)CCN)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](C(=O)Nc1cnc2ccccc2c1)[C@H](O)Cc1cccc(C(F)(F)F)c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C29H36F3N7O4.C29H36F3N7O3.C28H34F3N7O3.C28H32F3N7O3.C27H35N7O3/c30-29(31,32)20-6-3-4-18(14-20)15-24(40)26(28(43)37-21-16-19-5-1-2-7-23(19)36-17-21)38-27(42)22(35)8-9-25(41)39(12-10-33)13-11-34;1-38(28(42)23(35)10-11-26(40)39(14-12-33)15-13-34)25(16-19-6-8-21(9-7-19)29(30,31)32)27(41)37-22-17-20-4-2-3-5-24(20)36-18-22;2*29-28(30,31)20-7-5-18(6-8-20)15-24(27(41)36-21-16-19-3-1-2-4-23(19)35-17-21)37-26(40)22(34)9-10-25(39)38(13-11-32)14-12-33;28-12-14-34(15-13-29)25(35)17-22(30)26(36)33-24(11-10-19-6-2-1-3-7-19)27(37)32-21-16-20-8-4-5-9-23(20)31-18-21/h1-7,14,16-17,22,24,26,40H,8-13,15,33-35H2,(H,37,43)(H,38,42);2-9,17-18,23,25H,10-16,33-35H2,1H3,(H,37,41);1-8,16-17,22,24H,9-15,32-34H2,(H,36,41)(H,37,40);1-8,15-17,22H,9-14,32-34H2,(H,36,41)(H,37,40);1-9,16,18,22,24H,10-15,17,28-30H2,(H,32,37)(H,33,36)/b;;;24-15+;/t22-,24+,26-;23-,25-;22-,24+;22-;22-,24-/m00000/s1
InChIKeyFLXVDGKUGCDANK-TZIOROOKSA-N
XLogP7.98
TPSA858.74 Ų
H-Bond Donors25
H-Bond Acceptors36
Rotatable Bonds65
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002842.14
LogP ≤ 57.98
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide?
The IUPAC name of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide (CID 158071969) is (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide is CN(C(=O)[C@@H](N)CCC(=O)N(CCN)CCN)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](C(=O)Nc1cnc2ccccc2c1)[C@H](O)Cc1cccc(C(F)(F)F)c1.NCCN(CCN)C(=O)CC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide?
The InChIKey is FLXVDGKUGCDANK-TZIOROOKSA-N. The full InChI is InChI=1S/C29H36F3N7O4.C29H36F3N7O3.C28H34F3N7O3.C28H32F3N7O3.C27H35N7O3/c30-29(31,32)20-6-3-4-18(14-20)15-24(40)26(28(43)37-21-16-19-5-1-2-7-23(19)36-17-21)38-27(42)22(35)8-9-25(41)39(12-10-33)13-11-34;1-38(28(42)23(35)10-11-26(40)39(14-12-33)15-13-34)25(16-19-6-8-21(9-7-19)29(30,31)32)27(41)37-22-17-20-4-2-3-5-24(20)36-18-22;2*29-28(30,31)20-7-5-18(6-8-20)15-24(27(41)36-21-16-19-3-1-2-4-23(19)35-17-21)37-26(40)22(34)9-10-25(39)38(13-11-32)14-12-33;28-12-14-34(15-13-29)25(35)17-22(30)26(36)33-24(11-10-19-6-2-1-3-7-19)27(37)32-21-16-20-8-4-5-9-23(20)31-18-21/h1-7,14,16-17,22,24,26,40H,8-13,15,33-35H2,(H,37,43)(H,38,42);2-9,17-18,23,25H,10-16,33-35H2,1H3,(H,37,41);1-8,16-17,22,24H,9-15,32-34H2,(H,36,41)(H,37,40);1-8,15-17,22H,9-14,32-34H2,(H,36,41)(H,37,40);1-9,16,18,22,24H,10-15,17,28-30H2,(H,32,37)(H,33,36)/b;;;24-15+;/t22-,24+,26-;23-,25-;22-,24+;22-;22-,24-/m00000/s1.
What are the key properties of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide?
(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide has a molecular weight of 2842.14 g/mol, XLogP of 7.98, 65 rotatable bonds, 25 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S,3R)-3-hydroxy-1-oxo-1-(quinolin-3-ylamino)-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-methyl-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(E)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]pentanediamide is sourced from PubChem (CID 158071969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).