2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide

C158H211N63O33S12 — CID 159023234

IUPAC2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide
SMILESCN1CCC(CC(=O)Nc2cncn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)CC1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NC(=O)CC2CCNCC2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccc(N=C(N)N)cc2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)N2CCNCC2)c1=O)C(=O)c1nccs1.[H]/N=C(\N)N1CCN(S(=O)(=O)Nc2cccn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)CC1.[H]/N=C(\N)c1ccc(CS(=O)(=O)Nc2cccn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)cc1
InChIInChI=1S/C24H30N10O5S2.C24H29N9O5S2.C23H33N9O4S.C23H32N8O4S.C23H27N7O5S2.C21H31N11O5S2.C20H29N9O5S2/c25-23(26)30-9-1-3-17(20(36)21-29-10-12-40-21)32-19(35)13-34-11-2-4-18(22(34)37)33-41(38,39)14-15-5-7-16(8-6-15)31-24(27)28;25-21(26)16-7-5-15(6-8-16)14-40(37,38)32-18-4-2-11-33(23(18)36)13-19(34)31-17(3-1-9-30-24(27)28)20(35)22-29-10-12-39-22;1-31-8-4-15(5-9-31)11-18(33)30-17-12-26-14-32(22(17)36)13-19(34)29-16(3-2-6-28-23(24)25)20(35)21-27-7-10-37-21;24-23(25)28-7-1-3-16(20(34)21-27-10-12-36-21)29-19(33)14-31-11-2-4-17(22(31)35)30-18(32)13-15-5-8-26-9-6-15;24-23(25)27-10-4-8-17(20(32)21-26-11-13-36-21)28-19(31)14-30-12-5-9-18(22(30)33)29-37(34,35)15-16-6-2-1-3-7-16;22-20(23)27-5-1-3-14(17(34)18-26-6-12-38-18)28-16(33)13-31-7-2-4-15(19(31)35)29-39(36,37)32-10-8-30(9-11-32)21(24)25;21-20(22)25-5-1-3-14(17(31)18-24-8-12-35-18)26-16(30)13-28-9-2-4-15(19(28)32)27-36(33,34)29-10-6-23-7-11-29/h2,4-8,10-12,17,33H,1,3,9,13-14H2,(H,32,35)(H4,25,26,30)(H4,27,28,31);2,4-8,10-12,17,32H,1,3,9,13-14H2,(H3,25,26)(H,31,34)(H4,27,28,30);7,10,12,14-16H,2-6,8-9,11,13H2,1H3,(H,29,34)(H,30,33)(H4,24,25,28);2,4,10-12,15-16,26H,1,3,5-9,13-14H2,(H,29,33)(H,30,32)(H4,24,25,28);1-3,5-7,9,11-13,17,29H,4,8,10,14-15H2,(H,28,31)(H4,24,25,27);2,4,6-7,12,14,29H,1,3,5,8-11,13H2,(H3,24,25)(H,28,33)(H4,22,23,27);2,4,8-9,12,14,23,27H,1,3,5-7,10-11,13H2,(H,26,30)(H4,21,22,25)/t2*17-;2*16-;17-;2*14-/m0000000/s1
InChIKeyJTYRXWWDXJXVDH-CIOUJEJMSA-N
MW3905.64 g/mol
LogP-3.78
Rot. Bonds89

About 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide

2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide (PubChem CID 159023234) has the molecular formula C158H211N63O33S12 and a molecular weight of 3905.64 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide
PubChem CID159023234
Molecular FormulaC158H211N63O33S12
Molecular Weight3905.64 g/mol
Exact Mass3902.34
IUPAC Name2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide
SMILESCN1CCC(CC(=O)Nc2cncn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)CC1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NC(=O)CC2CCNCC2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccc(N=C(N)N)cc2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)N2CCNCC2)c1=O)C(=O)c1nccs1.[H]/N=C(\N)N1CCN(S(=O)(=O)Nc2cccn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)CC1.[H]/N=C(\N)c1ccc(CS(=O)(=O)Nc2cccn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)cc1
InChIInChI=1S/C24H30N10O5S2.C24H29N9O5S2.C23H33N9O4S.C23H32N8O4S.C23H27N7O5S2.C21H31N11O5S2.C20H29N9O5S2/c25-23(26)30-9-1-3-17(20(36)21-29-10-12-40-21)32-19(35)13-34-11-2-4-18(22(34)37)33-41(38,39)14-15-5-7-16(8-6-15)31-24(27)28;25-21(26)16-7-5-15(6-8-16)14-40(37,38)32-18-4-2-11-33(23(18)36)13-19(34)31-17(3-1-9-30-24(27)28)20(35)22-29-10-12-39-22;1-31-8-4-15(5-9-31)11-18(33)30-17-12-26-14-32(22(17)36)13-19(34)29-16(3-2-6-28-23(24)25)20(35)21-27-7-10-37-21;24-23(25)28-7-1-3-16(20(34)21-27-10-12-36-21)29-19(33)14-31-11-2-4-17(22(31)35)30-18(32)13-15-5-8-26-9-6-15;24-23(25)27-10-4-8-17(20(32)21-26-11-13-36-21)28-19(31)14-30-12-5-9-18(22(30)33)29-37(34,35)15-16-6-2-1-3-7-16;22-20(23)27-5-1-3-14(17(34)18-26-6-12-38-18)28-16(33)13-31-7-2-4-15(19(31)35)29-39(36,37)32-10-8-30(9-11-32)21(24)25;21-20(22)25-5-1-3-14(17(31)18-24-8-12-35-18)26-16(30)13-28-9-2-4-15(19(28)32)27-36(33,34)29-10-6-23-7-11-29/h2,4-8,10-12,17,33H,1,3,9,13-14H2,(H,32,35)(H4,25,26,30)(H4,27,28,31);2,4-8,10-12,17,32H,1,3,9,13-14H2,(H3,25,26)(H,31,34)(H4,27,28,30);7,10,12,14-16H,2-6,8-9,11,13H2,1H3,(H,29,34)(H,30,33)(H4,24,25,28);2,4,10-12,15-16,26H,1,3,5-9,13-14H2,(H,29,33)(H,30,32)(H4,24,25,28);1-3,5-7,9,11-13,17,29H,4,8,10,14-15H2,(H,28,31)(H4,24,25,27);2,4,6-7,12,14,29H,1,3,5,8-11,13H2,(H3,24,25)(H,28,33)(H4,22,23,27);2,4,8-9,12,14,23,27H,1,3,5-7,10-11,13H2,(H,26,30)(H4,21,22,25)/t2*17-;2*16-;17-;2*14-/m0000000/s1
InChIKeyJTYRXWWDXJXVDH-CIOUJEJMSA-N
XLogP-3.78
TPSA1521.32 Ų
H-Bond Donors36
H-Bond Acceptors68
Rotatable Bonds89
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003905.64
LogP ≤ 5-3.78
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1068

Analyze 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide (CID 159023234) is 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide is CN1CCC(CC(=O)Nc2cncn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)CC1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NC(=O)CC2CCNCC2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccc(N=C(N)N)cc2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(NS(=O)(=O)N2CCNCC2)c1=O)C(=O)c1nccs1.[H]/N=C(\N)N1CCN(S(=O)(=O)Nc2cccn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)CC1.[H]/N=C(\N)c1ccc(CS(=O)(=O)Nc2cccn(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c3nccs3)c2=O)cc1.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide?
The InChIKey is JTYRXWWDXJXVDH-CIOUJEJMSA-N. The full InChI is InChI=1S/C24H30N10O5S2.C24H29N9O5S2.C23H33N9O4S.C23H32N8O4S.C23H27N7O5S2.C21H31N11O5S2.C20H29N9O5S2/c25-23(26)30-9-1-3-17(20(36)21-29-10-12-40-21)32-19(35)13-34-11-2-4-18(22(34)37)33-41(38,39)14-15-5-7-16(8-6-15)31-24(27)28;25-21(26)16-7-5-15(6-8-16)14-40(37,38)32-18-4-2-11-33(23(18)36)13-19(34)31-17(3-1-9-30-24(27)28)20(35)22-29-10-12-39-22;1-31-8-4-15(5-9-31)11-18(33)30-17-12-26-14-32(22(17)36)13-19(34)29-16(3-2-6-28-23(24)25)20(35)21-27-7-10-37-21;24-23(25)28-7-1-3-16(20(34)21-27-10-12-36-21)29-19(33)14-31-11-2-4-17(22(31)35)30-18(32)13-15-5-8-26-9-6-15;24-23(25)27-10-4-8-17(20(32)21-26-11-13-36-21)28-19(31)14-30-12-5-9-18(22(30)33)29-37(34,35)15-16-6-2-1-3-7-16;22-20(23)27-5-1-3-14(17(34)18-26-6-12-38-18)28-16(33)13-31-7-2-4-15(19(31)35)29-39(36,37)32-10-8-30(9-11-32)21(24)25;21-20(22)25-5-1-3-14(17(31)18-24-8-12-35-18)26-16(30)13-28-9-2-4-15(19(28)32)27-36(33,34)29-10-6-23-7-11-29/h2,4-8,10-12,17,33H,1,3,9,13-14H2,(H,32,35)(H4,25,26,30)(H4,27,28,31);2,4-8,10-12,17,32H,1,3,9,13-14H2,(H3,25,26)(H,31,34)(H4,27,28,30);7,10,12,14-16H,2-6,8-9,11,13H2,1H3,(H,29,34)(H,30,33)(H4,24,25,28);2,4,10-12,15-16,26H,1,3,5-9,13-14H2,(H,29,33)(H,30,32)(H4,24,25,28);1-3,5-7,9,11-13,17,29H,4,8,10,14-15H2,(H,28,31)(H4,24,25,27);2,4,6-7,12,14,29H,1,3,5,8-11,13H2,(H3,24,25)(H,28,33)(H4,22,23,27);2,4,8-9,12,14,23,27H,1,3,5-7,10-11,13H2,(H,26,30)(H4,21,22,25)/t2*17-;2*16-;17-;2*14-/m0000000/s1.
What are the key properties of 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide?
2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide has a molecular weight of 3905.64 g/mol, XLogP of -3.78, 89 rotatable bonds, 36 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylphenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;2-[3-[(4-carbamimidoylpiperazin-1-yl)sulfonylamino]-2-oxo-1-pyridinyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-piperidin-4-ylacetamide;N-[1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[3-[[4-(diaminomethylideneamino)phenyl]methylsulfonylamino]-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(piperazin-1-ylsulfonylamino)-1-pyridinyl]acetamide is sourced from PubChem (CID 159023234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).