(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide

C181H250N40O22 — CID 157419540

About (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide

(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide (PubChem CID 157419540) has the molecular formula C181H250N40O22 and a molecular weight of 3338.25 g/mol. Its IUPAC name is (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide
• PubChem CID: 157419540
• Molecular Formula: C181H250N40O22
• Molecular Weight: 3338.25 g/mol
• Exact Mass: 3335.97
• IUPAC Name: (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide
• SMILES: CC1CCN(Cc2ccc(CNC(=O)[C@H](CCc3ccccc3)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc2)CC1.COc1cc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)ccc1OCc1ccccc1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C(=O)c2ccccc2)cc1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2nccnc2c1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2occc2c1
• InChI: InChI=1S/C33H44N6O5.C32H49N7O3.C32H40N6O4.C30H45N7O3.C27H36N8O3.C27H36N6O4/c1-43-30-20-26(13-15-29(30)44-23-25-10-6-3-7-11-25)22-37-33(42)28(14-12-24-8-4-2-5-9-24)38-32(41)27(36)21-31(40)39(18-16-34)19-17-35;1-24-13-17-38(18-14-24)23-27-9-7-26(8-10-27)22-36-32(42)29(12-11-25-5-3-2-4-6-25)37-31(41)28(35)21-30(40)39(19-15-33)20-16-34;33-17-19-38(20-18-34)29(39)21-27(35)31(41)37-28(16-13-23-7-3-1-4-8-23)32(42)36-22-24-11-14-26(15-12-24)30(40)25-9-5-2-6-10-25;31-15-19-37(20-16-32)28(38)21-26(33)29(39)35-27(14-11-23-7-3-1-4-8-23)30(40)34-22-24-9-12-25(13-10-24)36-17-5-2-6-18-36;28-10-14-35(15-11-29)25(36)17-21(30)26(37)34-23(9-6-19-4-2-1-3-5-19)27(38)33-18-20-7-8-22-24(16-20)32-13-12-31-22;28-11-13-33(14-12-29)25(34)17-22(30)26(35)32-23(8-6-19-4-2-1-3-5-19)27(36)31-18-20-7-9-24-21(16-20)10-15-37-24/h2-11,13,15,20,27-28H,12,14,16-19,21-23,34-36H2,1H3,(H,37,42)(H,38,41);2-10,24,28-29H,11-23,33-35H2,1H3,(H,36,42)(H,37,41);1-12,14-15,27-28H,13,16-22,33-35H2,(H,36,42)(H,37,41);1,3-4,7-10,12-13,26-27H,2,5-6,11,14-22,31-33H2,(H,34,40)(H,35,39);1-5,7-8,12-13,16,21,23H,6,9-11,14-15,17-18,28-30H2,(H,33,38)(H,34,37);1-5,7,9-10,15-16,22-23H,6,8,11-14,17-18,28-30H2,(H,31,36)(H,32,35)/t27-,28-;28-,29-;27-,28-;26-,27-;21-,23-;22-,23-/m000000/s1
• InChIKey: BPFYVYRCKYLRHT-HJDDCIQUSA-N
• XLogP: 5.03
• TPSA: 1020.35 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 44
• Rotatable Bonds: 93
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3338.25
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide?

The IUPAC name of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide (CID 157419540) is (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide.

What is the SMILES notation for (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide?

The canonical SMILES for (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide is CC1CCN(Cc2ccc(CNC(=O)[C@H](CCc3ccccc3)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc2)CC1.COc1cc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)ccc1OCc1ccccc1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C(=O)c2ccccc2)cc1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2nccnc2c1.NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2occc2c1.

What is the InChIKey of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide?

The InChIKey is BPFYVYRCKYLRHT-HJDDCIQUSA-N. The full InChI is InChI=1S/C33H44N6O5.C32H49N7O3.C32H40N6O4.C30H45N7O3.C27H36N8O3.C27H36N6O4/c1-43-30-20-26(13-15-29(30)44-23-25-10-6-3-7-11-25)22-37-33(42)28(14-12-24-8-4-2-5-9-24)38-32(41)27(36)21-31(40)39(18-16-34)19-17-35;1-24-13-17-38(18-14-24)23-27-9-7-26(8-10-27)22-36-32(42)29(12-11-25-5-3-2-4-6-25)37-31(41)28(35)21-30(40)39(19-15-33)20-16-34;33-17-19-38(20-18-34)29(39)21-27(35)31(41)37-28(16-13-23-7-3-1-4-8-23)32(42)36-22-24-11-14-26(15-12-24)30(40)25-9-5-2-6-10-25;31-15-19-37(20-16-32)28(38)21-26(33)29(39)35-27(14-11-23-7-3-1-4-8-23)30(40)34-22-24-9-12-25(13-10-24)36-17-5-2-6-18-36;28-10-14-35(15-11-29)25(36)17-21(30)26(37)34-23(9-6-19-4-2-1-3-5-19)27(38)33-18-20-7-8-22-24(16-20)32-13-12-31-22;28-11-13-33(14-12-29)25(34)17-22(30)26(35)32-23(8-6-19-4-2-1-3-5-19)27(36)31-18-20-7-9-24-21(16-20)10-15-37-24/h2-11,13,15,20,27-28H,12,14,16-19,21-23,34-36H2,1H3,(H,37,42)(H,38,41);2-10,24,28-29H,11-23,33-35H2,1H3,(H,36,42)(H,37,41);1-12,14-15,27-28H,13,16-22,33-35H2,(H,36,42)(H,37,41);1,3-4,7-10,12-13,26-27H,2,5-6,11,14-22,31-33H2,(H,34,40)(H,35,39);1-5,7-8,12-13,16,21,23H,6,9-11,14-15,17-18,28-30H2,(H,33,38)(H,34,37);1-5,7,9-10,15-16,22-23H,6,8,11-14,17-18,28-30H2,(H,31,36)(H,32,35)/t27-,28-;28-,29-;27-,28-;26-,27-;21-,23-;22-,23-/m000000/s1.

What are the key properties of (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide?

(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide has a molecular weight of 3338.25 g/mol, XLogP of 5.03, 93 rotatable bonds, 30 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-(1-benzofuran-5-ylmethylamino)-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(4-benzoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-4-phenylbutan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-[(4-piperidin-1-ylphenyl)methylamino]butan-2-yl]butanediamide;(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(2S)-1-oxo-4-phenyl-1-(quinoxalin-6-ylmethylamino)butan-2-yl]butanediamide is sourced from PubChem (CID 157419540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).