5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone

C210H224N66O38 — CID 158501899

IUPAC5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone
SMILESC/N=C(\N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N/C(N)=N/C)ccc4[nH]3)ccc2[nH]1.C/N=C(\N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN/C(N)=N/C)ccc4[nH]3)ccc2[nH]1.CC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(N)ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN)ccc4[nH]3)ccc2[nH]1.O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C26H31N11O3.C25H26N6O6.C25H28N6O4.C24H28N10O2.C22H23N7O3.C21H20N8O4.C21H22N8O2.C16H22N4O3.C11H10N2O4.C10H8N2O3.C9H6N2O4/c1-29-25(27)32-8-7-31-23(39)20-11-15-10-17(4-6-18(15)36-20)35-24(40)21-12-14-9-16(3-5-19(14)37-21)34-22(38)13-33-26(28)30-2;1-25(2,3)37-24(34)27-9-8-26-22(32)20-12-14-10-16(4-6-18(14)29-20)28-23(33)21-13-15-11-17(31(35)36)5-7-19(15)30-21;1-25(2,3)35-24(34)28-9-8-27-22(32)20-13-15-11-17(5-7-19(15)30-20)29-23(33)21-12-14-10-16(26)4-6-18(14)31-21;1-27-23(25)30-8-7-29-21(35)19-11-13-9-15(3-5-17(13)33-19)31-22(36)20-12-14-10-16(32-24(26)28-2)4-6-18(14)34-20;23-5-6-25-21(31)18-9-13-8-15(2-4-16(13)28-18)27-22(32)19-10-12-7-14(26-20(30)11-24)1-3-17(12)29-19;22-21(23)25-6-5-24-19(30)17-9-11-7-13(1-3-15(11)27-17)26-20(31)18-10-12-8-14(29(32)33)2-4-16(12)28-18;22-13-1-3-15-11(7-13)9-18(29-15)20(31)27-14-2-4-16-12(8-14)10-17(28-16)19(30)25-5-6-26-21(23)24;1-16(2,3)23-15(22)19-7-6-18-14(21)13-9-10-8-11(17)4-5-12(10)20-13;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(13)10-5-7-4-8(12(14)15)2-3-9(7)11-10;12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h3-6,9-12,36-37H,7-8,13H2,1-2H3,(H,31,39)(H,34,38)(H,35,40)(H3,27,29,32)(H3,28,30,33);4-7,10-13,29-30H,8-9H2,1-3H3,(H,26,32)(H,27,34)(H,28,33);4-7,10-13,30-31H,8-9,26H2,1-3H3,(H,27,32)(H,28,34)(H,29,33);3-6,9-12,33-34H,7-8H2,1-2H3,(H,29,35)(H,31,36)(H3,25,27,30)(H3,26,28,32);1-4,7-10,28-29H,5-6,11,23-24H2,(H,25,31)(H,26,30)(H,27,32);1-4,7-10,27-28H,5-6H2,(H,24,30)(H,26,31)(H4,22,23,25);1-4,7-10,28-29H,5-6,22H2,(H,25,30)(H,27,31)(H4,23,24,26);4-5,8-9,20H,6-7,17H2,1-3H3,(H,18,21)(H,19,22);3-6,12H,2H2,1H3;2-5,11H,1H3;1-4,10H,(H,12,13)
InChIKeyHJZMUVGNPQPVOB-UHFFFAOYSA-N
MW4280.53 g/mol
LogP23.06
Rot. Bonds60

About 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone

5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone (PubChem CID 158501899) has the molecular formula C210H224N66O38 and a molecular weight of 4280.53 g/mol. Its IUPAC name is 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone
PubChem CID158501899
Molecular FormulaC210H224N66O38
Molecular Weight4280.53 g/mol
Exact Mass4277.76
IUPAC Name5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone
SMILESC/N=C(\N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N/C(N)=N/C)ccc4[nH]3)ccc2[nH]1.C/N=C(\N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN/C(N)=N/C)ccc4[nH]3)ccc2[nH]1.CC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(N)ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN)ccc4[nH]3)ccc2[nH]1.O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C26H31N11O3.C25H26N6O6.C25H28N6O4.C24H28N10O2.C22H23N7O3.C21H20N8O4.C21H22N8O2.C16H22N4O3.C11H10N2O4.C10H8N2O3.C9H6N2O4/c1-29-25(27)32-8-7-31-23(39)20-11-15-10-17(4-6-18(15)36-20)35-24(40)21-12-14-9-16(3-5-19(14)37-21)34-22(38)13-33-26(28)30-2;1-25(2,3)37-24(34)27-9-8-26-22(32)20-12-14-10-16(4-6-18(14)29-20)28-23(33)21-13-15-11-17(31(35)36)5-7-19(15)30-21;1-25(2,3)35-24(34)28-9-8-27-22(32)20-13-15-11-17(5-7-19(15)30-20)29-23(33)21-12-14-10-16(26)4-6-18(14)31-21;1-27-23(25)30-8-7-29-21(35)19-11-13-9-15(3-5-17(13)33-19)31-22(36)20-12-14-10-16(32-24(26)28-2)4-6-18(14)34-20;23-5-6-25-21(31)18-9-13-8-15(2-4-16(13)28-18)27-22(32)19-10-12-7-14(26-20(30)11-24)1-3-17(12)29-19;22-21(23)25-6-5-24-19(30)17-9-11-7-13(1-3-15(11)27-17)26-20(31)18-10-12-8-14(29(32)33)2-4-16(12)28-18;22-13-1-3-15-11(7-13)9-18(29-15)20(31)27-14-2-4-16-12(8-14)10-17(28-16)19(30)25-5-6-26-21(23)24;1-16(2,3)23-15(22)19-7-6-18-14(21)13-9-10-8-11(17)4-5-12(10)20-13;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(13)10-5-7-4-8(12(14)15)2-3-9(7)11-10;12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h3-6,9-12,36-37H,7-8,13H2,1-2H3,(H,31,39)(H,34,38)(H,35,40)(H3,27,29,32)(H3,28,30,33);4-7,10-13,29-30H,8-9H2,1-3H3,(H,26,32)(H,27,34)(H,28,33);4-7,10-13,30-31H,8-9,26H2,1-3H3,(H,27,32)(H,28,34)(H,29,33);3-6,9-12,33-34H,7-8H2,1-2H3,(H,29,35)(H,31,36)(H3,25,27,30)(H3,26,28,32);1-4,7-10,28-29H,5-6,11,23-24H2,(H,25,31)(H,26,30)(H,27,32);1-4,7-10,27-28H,5-6H2,(H,24,30)(H,26,31)(H4,22,23,25);1-4,7-10,28-29H,5-6,22H2,(H,25,30)(H,27,31)(H4,23,24,26);4-5,8-9,20H,6-7,17H2,1-3H3,(H,18,21)(H,19,22);3-6,12H,2H2,1H3;2-5,11H,1H3;1-4,10H,(H,12,13)
InChIKeyHJZMUVGNPQPVOB-UHFFFAOYSA-N
XLogP23.06
TPSA1650.82 Ų
H-Bond Donors56
H-Bond Acceptors48
Rotatable Bonds60
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004280.53
LogP ≤ 523.06
H-Bond Donors ≤ 556
H-Bond Acceptors ≤ 1048

Analyze 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone?
The IUPAC name of 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone (CID 158501899) is 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone?
The canonical SMILES for 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone is C/N=C(\N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N/C(N)=N/C)ccc4[nH]3)ccc2[nH]1.C/N=C(\N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN/C(N)=N/C)ccc4[nH]3)ccc2[nH]1.CC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(N)ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1.CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN)ccc4[nH]3)ccc2[nH]1.O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.
What is the InChIKey of 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone?
The InChIKey is HJZMUVGNPQPVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N11O3.C25H26N6O6.C25H28N6O4.C24H28N10O2.C22H23N7O3.C21H20N8O4.C21H22N8O2.C16H22N4O3.C11H10N2O4.C10H8N2O3.C9H6N2O4/c1-29-25(27)32-8-7-31-23(39)20-11-15-10-17(4-6-18(15)36-20)35-24(40)21-12-14-9-16(3-5-19(14)37-21)34-22(38)13-33-26(28)30-2;1-25(2,3)37-24(34)27-9-8-26-22(32)20-12-14-10-16(4-6-18(14)29-20)28-23(33)21-13-15-11-17(31(35)36)5-7-19(15)30-21;1-25(2,3)35-24(34)28-9-8-27-22(32)20-13-15-11-17(5-7-19(15)30-20)29-23(33)21-12-14-10-16(26)4-6-18(14)31-21;1-27-23(25)30-8-7-29-21(35)19-11-13-9-15(3-5-17(13)33-19)31-22(36)20-12-14-10-16(32-24(26)28-2)4-6-18(14)34-20;23-5-6-25-21(31)18-9-13-8-15(2-4-16(13)28-18)27-22(32)19-10-12-7-14(26-20(30)11-24)1-3-17(12)29-19;22-21(23)25-6-5-24-19(30)17-9-11-7-13(1-3-15(11)27-17)26-20(31)18-10-12-8-14(29(32)33)2-4-16(12)28-18;22-13-1-3-15-11(7-13)9-18(29-15)20(31)27-14-2-4-16-12(8-14)10-17(28-16)19(30)25-5-6-26-21(23)24;1-16(2,3)23-15(22)19-7-6-18-14(21)13-9-10-8-11(17)4-5-12(10)20-13;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(13)10-5-7-4-8(12(14)15)2-3-9(7)11-10;12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h3-6,9-12,36-37H,7-8,13H2,1-2H3,(H,31,39)(H,34,38)(H,35,40)(H3,27,29,32)(H3,28,30,33);4-7,10-13,29-30H,8-9H2,1-3H3,(H,26,32)(H,27,34)(H,28,33);4-7,10-13,30-31H,8-9,26H2,1-3H3,(H,27,32)(H,28,34)(H,29,33);3-6,9-12,33-34H,7-8H2,1-2H3,(H,29,35)(H,31,36)(H3,25,27,30)(H3,26,28,32);1-4,7-10,28-29H,5-6,11,23-24H2,(H,25,31)(H,26,30)(H,27,32);1-4,7-10,27-28H,5-6H2,(H,24,30)(H,26,31)(H4,22,23,25);1-4,7-10,28-29H,5-6,22H2,(H,25,30)(H,27,31)(H4,23,24,26);4-5,8-9,20H,6-7,17H2,1-3H3,(H,18,21)(H,19,22);3-6,12H,2H2,1H3;2-5,11H,1H3;1-4,10H,(H,12,13).
What are the key properties of 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone?
5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone has a molecular weight of 4280.53 g/mol, XLogP of 23.06, 60 rotatable bonds, 56 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoacetyl)amino]-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide;5-amino-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;tert-butyl N-[2-[(5-amino-1H-indole-2-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-amino-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]ethyl]carbamate;N-[2-(diaminomethylideneamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide;ethyl 5-nitro-1H-indole-2-carboxylate;5-[[2-[(N'-methylcarbamimidoyl)amino]acetyl]amino]-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide;N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-5-[[5-[(N'-methylcarbamimidoyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide;5-nitro-1H-indole-2-carboxylic acid;1-(5-nitro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 158501899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).