(2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid

C162H138Cl12N38O19 — CID 162221532

About (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid

(2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid (PubChem CID 162221532) has the molecular formula C162H138Cl12N38O19 and a molecular weight of 3346.57 g/mol. Its IUPAC name is (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid
• PubChem CID: 162221532
• Molecular Formula: C162H138Cl12N38O19
• Molecular Weight: 3346.57 g/mol
• Exact Mass: 3338.73
• IUPAC Name: (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid
• SMILES: N#C/N=C(\N)Cc1cccc(-c2cn(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)nn2)c1.N#CN/C(N)=N/[C@@H]1CC[C@H](C(=O)Cc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)C1.NC(N)=Nc1ccc(-c2cn(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)nn2)cc1.O=C(N[C@@H](Cc1ccc(-n2cc(-c3ccc(NC4=NCCCN4)cc3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(-c3ccc(NC4=NCCN4)cc3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(-c3cccc(Cc4ccccn4)c3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C30H23Cl2N5O3.C28H25Cl2N7O3.C27H23Cl2N7O3.C27H21Cl2N7O3.C25H21Cl2N7O3.C25H25Cl2N5O4/c31-24-8-4-9-25(32)28(24)29(38)34-26(30(39)40)17-19-10-12-23(13-11-19)37-18-27(35-36-37)21-6-3-5-20(15-21)16-22-7-1-2-14-33-22;29-21-3-1-4-22(30)25(21)26(38)34-23(27(39)40)15-17-5-11-20(12-6-17)37-16-24(35-36-37)18-7-9-19(10-8-18)33-28-31-13-2-14-32-28;28-20-2-1-3-21(29)24(20)25(37)33-22(26(38)39)14-16-4-10-19(11-5-16)36-15-23(34-35-36)17-6-8-18(9-7-17)32-27-30-12-13-31-27;28-20-5-2-6-21(29)25(20)26(37)33-22(27(38)39)12-16-7-9-19(10-8-16)36-14-23(34-35-36)18-4-1-3-17(11-18)13-24(31)32-15-30;26-18-2-1-3-19(27)22(18)23(35)31-20(24(36)37)12-14-4-10-17(11-5-14)34-13-21(32-33-34)15-6-8-16(9-7-15)30-25(28)29;26-18-2-1-3-19(27)22(18)23(34)32-20(24(35)36)10-14-4-6-15(7-5-14)11-21(33)16-8-9-17(12-16)31-25(29)30-13-28/h1-15,18,26H,16-17H2,(H,34,38)(H,39,40);1,3-12,16,23H,2,13-15H2,(H,34,38)(H,39,40)(H2,31,32,33);1-11,15,22H,12-14H2,(H,33,37)(H,38,39)(H2,30,31,32);1-11,14,22H,12-13H2,(H2,31,32)(H,33,37)(H,38,39);1-11,13,20H,12H2,(H,31,35)(H,36,37)(H4,28,29,30);1-7,16-17,20H,8-12H2,(H,32,34)(H,35,36)(H3,29,30,31)/t26-;23-;2*22-;20-;16-,17+,20-/m000000/s1
• InChIKey: ZUEOXEORRYPWQI-MPGSQQNJSA-N
• XLogP: 24.82
• TPSA: 855.52 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 40
• Rotatable Bonds: 51
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3346.57
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid?

The IUPAC name of (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid (CID 162221532) is (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid.

What is the SMILES notation for (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid?

The canonical SMILES for (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid is N#C/N=C(\N)Cc1cccc(-c2cn(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)nn2)c1.N#CN/C(N)=N/[C@@H]1CC[C@H](C(=O)Cc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)C1.NC(N)=Nc1ccc(-c2cn(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)nn2)cc1.O=C(N[C@@H](Cc1ccc(-n2cc(-c3ccc(NC4=NCCCN4)cc3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(-c3ccc(NC4=NCCN4)cc3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.O=C(N[C@@H](Cc1ccc(-n2cc(-c3cccc(Cc4ccccn4)c3)nn2)cc1)C(=O)O)c1c(Cl)cccc1Cl.

What is the InChIKey of (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid?

The InChIKey is ZUEOXEORRYPWQI-MPGSQQNJSA-N. The full InChI is InChI=1S/C30H23Cl2N5O3.C28H25Cl2N7O3.C27H23Cl2N7O3.C27H21Cl2N7O3.C25H21Cl2N7O3.C25H25Cl2N5O4/c31-24-8-4-9-25(32)28(24)29(38)34-26(30(39)40)17-19-10-12-23(13-11-19)37-18-27(35-36-37)21-6-3-5-20(15-21)16-22-7-1-2-14-33-22;29-21-3-1-4-22(30)25(21)26(38)34-23(27(39)40)15-17-5-11-20(12-6-17)37-16-24(35-36-37)18-7-9-19(10-8-18)33-28-31-13-2-14-32-28;28-20-2-1-3-21(29)24(20)25(37)33-22(26(38)39)14-16-4-10-19(11-5-16)36-15-23(34-35-36)17-6-8-18(9-7-17)32-27-30-12-13-31-27;28-20-5-2-6-21(29)25(20)26(37)33-22(27(38)39)12-16-7-9-19(10-8-16)36-14-23(34-35-36)18-4-1-3-17(11-18)13-24(31)32-15-30;26-18-2-1-3-19(27)22(18)23(35)31-20(24(36)37)12-14-4-10-17(11-5-14)34-13-21(32-33-34)15-6-8-16(9-7-15)30-25(28)29;26-18-2-1-3-19(27)22(18)23(34)32-20(24(35)36)10-14-4-6-15(7-5-14)11-21(33)16-8-9-17(12-16)31-25(29)30-13-28/h1-15,18,26H,16-17H2,(H,34,38)(H,39,40);1,3-12,16,23H,2,13-15H2,(H,34,38)(H,39,40)(H2,31,32,33);1-11,15,22H,12-14H2,(H,33,37)(H,38,39)(H2,30,31,32);1-11,14,22H,12-13H2,(H2,31,32)(H,33,37)(H,38,39);1-11,13,20H,12H2,(H,31,35)(H,36,37)(H4,28,29,30);1-7,16-17,20H,8-12H2,(H,32,34)(H,35,36)(H3,29,30,31)/t26-;23-;2*22-;20-;16-,17+,20-/m000000/s1.

What are the key properties of (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid?

(2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid has a molecular weight of 3346.57 g/mol, XLogP of 24.82, 51 rotatable bonds, 21 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[4-[2-[(1S,3R)-3-[[amino-(cyanoamino)methylidene]amino]cyclopentyl]-2-oxoethyl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[3-(2-amino-2-cyanoiminoethyl)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-3-[4-[4-[4-(diaminomethylideneamino)phenyl]triazol-1-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[3-(pyridin-2-ylmethyl)phenyl]triazol-1-yl]phenyl]propanoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]triazol-1-yl]phenyl]propanoic acid is sourced from PubChem (CID 162221532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).