azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride

C116H132Cl8N28O32S16 — CID 158100131

IUPACazane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride
SMILESCC1(C(=O)CC(=O)NCC2=N[C@H](c3nc(C(=O)O)cs3)CS2)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.CC1(C(=O)CC(=O)NCc2nc(C3=NC(C(=O)O)CS3)cs2)CC1.Cl.Cl.Cl.Cl.N.N.N.N.O=C(CC(=O)C1(Cl)CC1)NCC1=N[C@H](c2nc(C(=O)O)cs2)CS1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(-c2nc(C(=O)O)cs2)cs1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(-c2nc(C(=O)O)cs2)cs1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(C2=NC(C(=O)O)CS2)cs1
InChIInChI=1S/2C15H17N3O4S2.2C15H15N3O4S2.2C14H14ClN3O4S2.2C14H12ClN3O4S2.4ClH.4H3N/c4*1-15(2-3-15)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;4*15-14(1-2-14)9(19)3-10(20)16-4-11-17-7(5-23-11)12-18-8(6-24-12)13(21)22;;;;;;;;/h7-8H,2-6H2,1H3,(H,16,20)(H,21,22);6,9H,2-5,7H2,1H3,(H,16,20)(H,21,22);2*6-7H,2-5H2,1H3,(H,16,20)(H,21,22);6-7H,1-5H2,(H,16,20)(H,21,22);5,8H,1-4,6H2,(H,16,20)(H,21,22);2*5-6H,1-4H2,(H,16,20)(H,21,22);4*1H;4*1H3/t8-;;;;7-;;;;;;;;;;;/m0...0.........../s1
InChIKeyRJQKLSKRPAKKNC-OMBQDAQOSA-N
MW3227.19 g/mol
LogP18.32
Rot. Bonds56

About azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride

azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride (PubChem CID 158100131) has the molecular formula C116H132Cl8N28O32S16 and a molecular weight of 3227.19 g/mol. Its IUPAC name is azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride.

Molecular Properties

Compound Nameazane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride
PubChem CID158100131
Molecular FormulaC116H132Cl8N28O32S16
Molecular Weight3227.19 g/mol
Exact Mass3220.26
IUPAC Nameazane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride
SMILESCC1(C(=O)CC(=O)NCC2=N[C@H](c3nc(C(=O)O)cs3)CS2)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.CC1(C(=O)CC(=O)NCc2nc(C3=NC(C(=O)O)CS3)cs2)CC1.Cl.Cl.Cl.Cl.N.N.N.N.O=C(CC(=O)C1(Cl)CC1)NCC1=N[C@H](c2nc(C(=O)O)cs2)CS1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(-c2nc(C(=O)O)cs2)cs1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(-c2nc(C(=O)O)cs2)cs1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(C2=NC(C(=O)O)CS2)cs1
InChIInChI=1S/2C15H17N3O4S2.2C15H15N3O4S2.2C14H14ClN3O4S2.2C14H12ClN3O4S2.4ClH.4H3N/c4*1-15(2-3-15)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;4*15-14(1-2-14)9(19)3-10(20)16-4-11-17-7(5-23-11)12-18-8(6-24-12)13(21)22;;;;;;;;/h7-8H,2-6H2,1H3,(H,16,20)(H,21,22);6,9H,2-5,7H2,1H3,(H,16,20)(H,21,22);2*6-7H,2-5H2,1H3,(H,16,20)(H,21,22);6-7H,1-5H2,(H,16,20)(H,21,22);5,8H,1-4,6H2,(H,16,20)(H,21,22);2*5-6H,1-4H2,(H,16,20)(H,21,22);4*1H;4*1H3/t8-;;;;7-;;;;;;;;;;;/m0...0.........../s1
InChIKeyRJQKLSKRPAKKNC-OMBQDAQOSA-N
XLogP18.32
TPSA1011.88 Ų
H-Bond Donors20
H-Bond Acceptors60
Rotatable Bonds56
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003227.19
LogP ≤ 518.32
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride?
The IUPAC name of azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride (CID 158100131) is azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride.
What is the SMILES notation for azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride?
The canonical SMILES for azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride is CC1(C(=O)CC(=O)NCC2=N[C@H](c3nc(C(=O)O)cs3)CS2)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.CC1(C(=O)CC(=O)NCc2nc(C3=NC(C(=O)O)CS3)cs2)CC1.Cl.Cl.Cl.Cl.N.N.N.N.O=C(CC(=O)C1(Cl)CC1)NCC1=N[C@H](c2nc(C(=O)O)cs2)CS1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(-c2nc(C(=O)O)cs2)cs1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(-c2nc(C(=O)O)cs2)cs1.O=C(CC(=O)C1(Cl)CC1)NCc1nc(C2=NC(C(=O)O)CS2)cs1.
What is the InChIKey of azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride?
The InChIKey is RJQKLSKRPAKKNC-OMBQDAQOSA-N. The full InChI is InChI=1S/2C15H17N3O4S2.2C15H15N3O4S2.2C14H14ClN3O4S2.2C14H12ClN3O4S2.4ClH.4H3N/c4*1-15(2-3-15)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;4*15-14(1-2-14)9(19)3-10(20)16-4-11-17-7(5-23-11)12-18-8(6-24-12)13(21)22;;;;;;;;/h7-8H,2-6H2,1H3,(H,16,20)(H,21,22);6,9H,2-5,7H2,1H3,(H,16,20)(H,21,22);2*6-7H,2-5H2,1H3,(H,16,20)(H,21,22);6-7H,1-5H2,(H,16,20)(H,21,22);5,8H,1-4,6H2,(H,16,20)(H,21,22);2*5-6H,1-4H2,(H,16,20)(H,21,22);4*1H;4*1H3/t8-;;;;7-;;;;;;;;;;;/m0...0.........../s1.
What are the key properties of azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride?
azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride has a molecular weight of 3227.19 g/mol, XLogP of 18.32, 56 rotatable bonds, 20 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[(4S)-2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);2-[(4S)-2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;bis(2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid);tetrahydrochloride is sourced from PubChem (CID 158100131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).