(2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide

C143H201Cl7N66O20 — CID 157137968

IUPAC(2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
SMILESCNCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.N/C(=N\CCCCc1ccc(OC[C@H](N)C(=O)O)cc1)NC(=O)c1nc(Cl)c(N)nc1N.NC(=O)CNCCOc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NC(N)=NCCC(=O)Nc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NC(N)=NCCNC(=O)c1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
InChIInChI=1S/C22H32ClN9O3.2C21H30ClN9O3.2C20H28ClN11O2.C20H28ClN9O3.C19H25ClN8O4/c1-27-10-4-12-28-16(33)13-35-15-8-6-14(7-9-15)5-2-3-11-29-22(26)32-21(34)17-19(24)31-20(25)18(23)30-17;2*22-17-19(25)30-18(24)16(29-17)20(33)31-21(26)28-10-2-1-4-13-5-7-14(8-6-13)34-12-15(32)27-11-3-9-23;21-15-17(23)31-16(22)14(30-15)18(34)32-20(26)28-9-2-1-3-11-4-6-12(7-5-11)29-13(33)8-10-27-19(24)25;21-14-16(23)31-15(22)13(30-14)18(34)32-20(26)29-8-2-1-3-11-4-6-12(7-5-11)17(33)27-9-10-28-19(24)25;21-16-18(24)29-17(23)15(28-16)19(32)30-20(25)27-8-2-1-3-12-4-6-13(7-5-12)33-10-9-26-11-14(22)31;20-14-16(23)27-15(22)13(26-14)17(29)28-19(24)25-8-2-1-3-10-4-6-11(7-5-10)32-9-12(21)18(30)31/h6-9,27H,2-5,10-13H2,1H3,(H,28,33)(H4,24,25,31)(H3,26,29,32,34);2*5-8H,1-4,9-12,23H2,(H,27,32)(H4,24,25,30)(H3,26,28,31,33);4-7H,1-3,8-10H2,(H,29,33)(H4,22,23,31)(H4,24,25,27)(H3,26,28,32,34);4-7H,1-3,8-10H2,(H,27,33)(H4,22,23,31)(H4,24,25,28)(H3,26,29,32,34);4-7,26H,1-3,8-11H2,(H2,22,31)(H4,23,24,29)(H3,25,27,30,32);4-7,12H,1-3,8-9,21H2,(H,30,31)(H4,22,23,27)(H3,24,25,28,29)/t;;;;;;12-/m......0/s1
InChIKeyAJVSXJQEAIKISW-XINRIZAVSA-N
MW3412.79 g/mol
LogP0.17
Rot. Bonds79

About (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide

(2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide (PubChem CID 157137968) has the molecular formula C143H201Cl7N66O20 and a molecular weight of 3412.79 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
PubChem CID157137968
Molecular FormulaC143H201Cl7N66O20
Molecular Weight3412.79 g/mol
Exact Mass3407.46
IUPAC Name(2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
SMILESCNCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.N/C(=N\CCCCc1ccc(OC[C@H](N)C(=O)O)cc1)NC(=O)c1nc(Cl)c(N)nc1N.NC(=O)CNCCOc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NC(N)=NCCC(=O)Nc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NC(N)=NCCNC(=O)c1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
InChIInChI=1S/C22H32ClN9O3.2C21H30ClN9O3.2C20H28ClN11O2.C20H28ClN9O3.C19H25ClN8O4/c1-27-10-4-12-28-16(33)13-35-15-8-6-14(7-9-15)5-2-3-11-29-22(26)32-21(34)17-19(24)31-20(25)18(23)30-17;2*22-17-19(25)30-18(24)16(29-17)20(33)31-21(26)28-10-2-1-4-13-5-7-14(8-6-13)34-12-15(32)27-11-3-9-23;21-15-17(23)31-16(22)14(30-15)18(34)32-20(26)28-9-2-1-3-11-4-6-12(7-5-11)29-13(33)8-10-27-19(24)25;21-14-16(23)31-15(22)13(30-14)18(34)32-20(26)29-8-2-1-3-11-4-6-12(7-5-11)17(33)27-9-10-28-19(24)25;21-16-18(24)29-17(23)15(28-16)19(32)30-20(25)27-8-2-1-3-12-4-6-13(7-5-12)33-10-9-26-11-14(22)31;20-14-16(23)27-15(22)13(26-14)17(29)28-19(24)25-8-2-1-3-10-4-6-11(7-5-10)32-9-12(21)18(30)31/h6-9,27H,2-5,10-13H2,1H3,(H,28,33)(H4,24,25,31)(H3,26,29,32,34);2*5-8H,1-4,9-12,23H2,(H,27,32)(H4,24,25,30)(H3,26,28,31,33);4-7H,1-3,8-10H2,(H,29,33)(H4,22,23,31)(H4,24,25,27)(H3,26,28,32,34);4-7H,1-3,8-10H2,(H,27,33)(H4,22,23,31)(H4,24,25,28)(H3,26,29,32,34);4-7,26H,1-3,8-11H2,(H2,22,31)(H4,23,24,29)(H3,25,27,30,32);4-7,12H,1-3,8-9,21H2,(H,30,31)(H4,22,23,27)(H3,24,25,28,29)/t;;;;;;12-/m......0/s1
InChIKeyAJVSXJQEAIKISW-XINRIZAVSA-N
XLogP0.17
TPSA1520.06 Ų
H-Bond Donors44
H-Bond Acceptors61
Rotatable Bonds79
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003412.79
LogP ≤ 50.17
H-Bond Donors ≤ 544
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The IUPAC name of (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide (CID 157137968) is (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide.
What is the SMILES notation for (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The canonical SMILES for (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide is CNCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.N/C(=N\CCCCc1ccc(OC[C@H](N)C(=O)O)cc1)NC(=O)c1nc(Cl)c(N)nc1N.NC(=O)CNCCOc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NC(N)=NCCC(=O)Nc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NC(N)=NCCNC(=O)c1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.NCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.
What is the InChIKey of (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
The InChIKey is AJVSXJQEAIKISW-XINRIZAVSA-N. The full InChI is InChI=1S/C22H32ClN9O3.2C21H30ClN9O3.2C20H28ClN11O2.C20H28ClN9O3.C19H25ClN8O4/c1-27-10-4-12-28-16(33)13-35-15-8-6-14(7-9-15)5-2-3-11-29-22(26)32-21(34)17-19(24)31-20(25)18(23)30-17;2*22-17-19(25)30-18(24)16(29-17)20(33)31-21(26)28-10-2-1-4-13-5-7-14(8-6-13)34-12-15(32)27-11-3-9-23;21-15-17(23)31-16(22)14(30-15)18(34)32-20(26)28-9-2-1-3-11-4-6-12(7-5-11)29-13(33)8-10-27-19(24)25;21-14-16(23)31-15(22)13(30-14)18(34)32-20(26)29-8-2-1-3-11-4-6-12(7-5-11)17(33)27-9-10-28-19(24)25;21-16-18(24)29-17(23)15(28-16)19(32)30-20(25)27-8-2-1-3-12-4-6-13(7-5-12)33-10-9-26-11-14(22)31;20-14-16(23)27-15(22)13(26-14)17(29)28-19(24)25-8-2-1-3-10-4-6-11(7-5-10)32-9-12(21)18(30)31/h6-9,27H,2-5,10-13H2,1H3,(H,28,33)(H4,24,25,31)(H3,26,29,32,34);2*5-8H,1-4,9-12,23H2,(H,27,32)(H4,24,25,30)(H3,26,28,31,33);4-7H,1-3,8-10H2,(H,29,33)(H4,22,23,31)(H4,24,25,27)(H3,26,28,32,34);4-7H,1-3,8-10H2,(H,27,33)(H4,22,23,31)(H4,24,25,28)(H3,26,29,32,34);4-7,26H,1-3,8-11H2,(H2,22,31)(H4,23,24,29)(H3,25,27,30,32);4-7,12H,1-3,8-9,21H2,(H,30,31)(H4,22,23,27)(H3,24,25,28,29)/t;;;;;;12-/m......0/s1.
What are the key properties of (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide?
(2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide has a molecular weight of 3412.79 g/mol, XLogP of 0.17, 79 rotatable bonds, 44 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]propanoic acid;3,5-diamino-N-[N'-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;bis(3,5-diamino-N-[N'-[4-[4-[2-(3-aminopropylamino)-2-oxoethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(diaminomethylideneamino)propanoylamino]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide is sourced from PubChem (CID 157137968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).