(2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid

C220H225Cl13N22O34 — CID 157264159

About (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid

(2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid (PubChem CID 157264159) has the molecular formula C220H225Cl13N22O34 and a molecular weight of 4182.23 g/mol. Its IUPAC name is (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid
• PubChem CID: 157264159
• Molecular Formula: C220H225Cl13N22O34
• Molecular Weight: 4182.23 g/mol
• Exact Mass: 4173.25
• IUPAC Name: (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid
• SMILES: C/C(N)=N\CCCC(=O)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(CC(=O)CCCNc2ccccn2)cc1)C(=O)O.Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(CC(=O)CCCNc2ccccn2)cc1)C(=O)O.O=C(CCCCCc1ccccn1)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCCCc1ccc2c(n1)NCCC2)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCCNc1ccccn1)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCCc1ccc2c(n1)CCCC2)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCc1ccc2c(n1)NCCC2)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1
• InChI: InChI=1S/C30H31Cl2N3O4.C30H30Cl2N2O4.C28H27Cl2N3O4.C28H28Cl2N2O4.C28H31N3O6.C27H28ClN3O4.C26H25Cl2N3O4.C23H25Cl2N3O4/c31-24-8-3-9-25(32)27(24)29(37)35-26(30(38)39)18-20-12-10-19(11-13-20)17-23(36)7-2-1-6-22-15-14-21-5-4-16-33-28(21)34-22;31-24-8-4-9-25(32)28(24)29(36)34-27(30(37)38)18-20-13-11-19(12-14-20)17-23(35)7-3-6-22-16-15-21-5-1-2-10-26(21)33-22;29-22-4-1-5-23(30)25(22)27(35)33-24(28(36)37)16-18-8-6-17(7-9-18)15-21(34)13-12-20-11-10-19-3-2-14-31-26(19)32-20;29-23-10-6-11-24(30)26(23)27(34)32-25(28(35)36)18-20-14-12-19(13-15-20)17-22(33)9-3-1-2-7-21-8-4-5-16-31-21;1-36-23-8-5-9-24(37-2)26(23)27(33)31-22(28(34)35)18-20-13-11-19(12-14-20)17-21(32)7-6-16-30-25-10-3-4-15-29-25;1-18-6-4-8-22(28)25(18)26(33)31-23(27(34)35)17-20-12-10-19(11-13-20)16-21(32)7-5-15-30-24-9-2-3-14-29-24;27-20-6-3-7-21(28)24(20)25(33)31-22(26(34)35)16-18-11-9-17(10-12-18)15-19(32)5-4-14-30-23-8-1-2-13-29-23;1-14(26)27-11-3-4-17(29)12-15-7-9-16(10-8-15)13-20(23(31)32)28-22(30)21-18(24)5-2-6-19(21)25/h3,8-15,26H,1-2,4-7,16-18H2,(H,33,34)(H,35,37)(H,38,39);4,8-9,11-16,27H,1-3,5-7,10,17-18H2,(H,34,36)(H,37,38);1,4-11,24H,2-3,12-16H2,(H,31,32)(H,33,35)(H,36,37);4-6,8,10-16,25H,1-3,7,9,17-18H2,(H,32,34)(H,35,36);3-5,8-15,22H,6-7,16-18H2,1-2H3,(H,29,30)(H,31,33)(H,34,35);2-4,6,8-14,23H,5,7,15-17H2,1H3,(H,29,30)(H,31,33)(H,34,35);1-3,6-13,22H,4-5,14-16H2,(H,29,30)(H,31,33)(H,34,35);2,5-10,20H,3-4,11-13H2,1H3,(H2,26,27)(H,28,30)(H,31,32)/t26-;27-;24-;25-;22-;23-;22-;20-/m00000000/s1
• InChIKey: AXUPHJIUWVTJRG-SGEPZWJLSA-N
• XLogP: 38.68
• TPSA: 874.98 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 39
• Rotatable Bonds: 95
• Heavy Atoms: 289
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4182.23
LogP ≤ 5	38.68
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid?

The IUPAC name of (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid (CID 157264159) is (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid.

What is the SMILES notation for (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid?

The canonical SMILES for (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid is C/C(N)=N\CCCC(=O)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(CC(=O)CCCNc2ccccn2)cc1)C(=O)O.Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(CC(=O)CCCNc2ccccn2)cc1)C(=O)O.O=C(CCCCCc1ccccn1)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCCCc1ccc2c(n1)NCCC2)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCCNc1ccccn1)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCCc1ccc2c(n1)CCCC2)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(CCc1ccc2c(n1)NCCC2)Cc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.

What is the InChIKey of (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid?

The InChIKey is AXUPHJIUWVTJRG-SGEPZWJLSA-N. The full InChI is InChI=1S/C30H31Cl2N3O4.C30H30Cl2N2O4.C28H27Cl2N3O4.C28H28Cl2N2O4.C28H31N3O6.C27H28ClN3O4.C26H25Cl2N3O4.C23H25Cl2N3O4/c31-24-8-3-9-25(32)27(24)29(37)35-26(30(38)39)18-20-12-10-19(11-13-20)17-23(36)7-2-1-6-22-15-14-21-5-4-16-33-28(21)34-22;31-24-8-4-9-25(32)28(24)29(36)34-27(30(37)38)18-20-13-11-19(12-14-20)17-23(35)7-3-6-22-16-15-21-5-1-2-10-26(21)33-22;29-22-4-1-5-23(30)25(22)27(35)33-24(28(36)37)16-18-8-6-17(7-9-18)15-21(34)13-12-20-11-10-19-3-2-14-31-26(19)32-20;29-23-10-6-11-24(30)26(23)27(34)32-25(28(35)36)18-20-14-12-19(13-15-20)17-22(33)9-3-1-2-7-21-8-4-5-16-31-21;1-36-23-8-5-9-24(37-2)26(23)27(33)31-22(28(34)35)18-20-13-11-19(12-14-20)17-21(32)7-6-16-30-25-10-3-4-15-29-25;1-18-6-4-8-22(28)25(18)26(33)31-23(27(34)35)17-20-12-10-19(11-13-20)16-21(32)7-5-15-30-24-9-2-3-14-29-24;27-20-6-3-7-21(28)24(20)25(33)31-22(26(34)35)16-18-11-9-17(10-12-18)15-19(32)5-4-14-30-23-8-1-2-13-29-23;1-14(26)27-11-3-4-17(29)12-15-7-9-16(10-8-15)13-20(23(31)32)28-22(30)21-18(24)5-2-6-19(21)25/h3,8-15,26H,1-2,4-7,16-18H2,(H,33,34)(H,35,37)(H,38,39);4,8-9,11-16,27H,1-3,5-7,10,17-18H2,(H,34,36)(H,37,38);1,4-11,24H,2-3,12-16H2,(H,31,32)(H,33,35)(H,36,37);4-6,8,10-16,25H,1-3,7,9,17-18H2,(H,32,34)(H,35,36);3-5,8-15,22H,6-7,16-18H2,1-2H3,(H,29,30)(H,31,33)(H,34,35);2-4,6,8-14,23H,5,7,15-17H2,1H3,(H,29,30)(H,31,33)(H,34,35);1-3,6-13,22H,4-5,14-16H2,(H,29,30)(H,31,33)(H,34,35);2,5-10,20H,3-4,11-13H2,1H3,(H2,26,27)(H,28,30)(H,31,32)/t26-;27-;24-;25-;22-;23-;22-;20-/m00000000/s1.

What are the key properties of (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid?

(2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid has a molecular weight of 4182.23 g/mol, XLogP of 38.68, 95 rotatable bonds, 22 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[4-[5-(1-aminoethylideneamino)-2-oxopentyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-oxo-7-pyridin-2-ylheptyl)phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexyl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-oxo-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]phenyl]propanoic acid;(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-[4-[2-oxo-5-(pyridin-2-ylamino)pentyl]phenyl]propanoic acid is sourced from PubChem (CID 157264159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).