1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid

C135H249N41O35 — CID 172936554

IUPAC1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)O.CC(C)C(C)C(=O)O.CC(CCCN/C(N)=N/[N+](=O)[O-])NC(=O)C1CCCN1C(=O)C1CCCN1.CC(N)CCCN/C(N)=N/[N+](=O)[O-].CCC(=O)O.CCCCCC(C)C(=O)O.CCCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].CCCCCC(NC(=O)C(N)C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].CCCCCC(NC(=O)C(NC(=O)CN)C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/C30H54N10O7.C28H51N9O6.C23H42N8O5.C16H29N7O4.C15H24N2O5.C8H16O2.C6H15N5O2.C6H12O2.C3H6O2/c1-5-6-7-12-21(35-27(43)25(19(2)3)36-24(41)18-31)28(44)39-17-10-14-23(39)29(45)38-16-9-13-22(38)26(42)34-20(4)11-8-15-33-30(32)37-40(46)47;1-5-6-7-12-20(33-25(39)23(29)18(2)3)26(40)36-17-10-14-22(36)27(41)35-16-9-13-21(35)24(38)32-19(4)11-8-15-31-28(30)34-37(42)43;1-3-4-5-10-17(24)21(33)30-15-8-12-19(30)22(34)29-14-7-11-18(29)20(32)27-16(2)9-6-13-26-23(25)28-31(35)36;1-11(5-2-9-19-16(17)21-23(26)27)20-14(24)13-7-4-10-22(13)15(25)12-6-3-8-18-12;1-15(2,3)22-14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20;1-3-4-5-6-7(2)8(9)10;1-5(7)3-2-4-9-6(8)10-11(12)13;1-4(2)5(3)6(7)8;1-2-3(4)5/h19-23,25H,5-18,31H2,1-4H3,(H,34,42)(H,35,43)(H,36,41)(H3,32,33,37);18-23H,5-17,29H2,1-4H3,(H,32,38)(H,33,39)(H3,30,31,34);16-19H,3-15,24H2,1-2H3,(H,27,32)(H3,25,26,28);11-13,18H,2-10H2,1H3,(H,20,24)(H3,17,19,21);10-11H,4-9H2,1-3H3,(H,19,20);7H,3-6H2,1-2H3,(H,9,10);5H,2-4,7H2,1H3,(H3,8,9,10);4-5H,1-3H3,(H,7,8);2H2,1H3,(H,4,5)
InChIKeyUYXPLZGLTIDASU-UHFFFAOYSA-N
MW3006.73 g/mol
LogP4.08
Rot. Bonds70

About 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid

1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid (PubChem CID 172936554) has the molecular formula C135H249N41O35 and a molecular weight of 3006.73 g/mol. Its IUPAC name is 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid.

Molecular Properties

Compound Name1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid
PubChem CID172936554
Molecular FormulaC135H249N41O35
Molecular Weight3006.73 g/mol
Exact Mass3004.90
IUPAC Name1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)O.CC(C)C(C)C(=O)O.CC(CCCN/C(N)=N/[N+](=O)[O-])NC(=O)C1CCCN1C(=O)C1CCCN1.CC(N)CCCN/C(N)=N/[N+](=O)[O-].CCC(=O)O.CCCCCC(C)C(=O)O.CCCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].CCCCCC(NC(=O)C(N)C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].CCCCCC(NC(=O)C(NC(=O)CN)C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/C30H54N10O7.C28H51N9O6.C23H42N8O5.C16H29N7O4.C15H24N2O5.C8H16O2.C6H15N5O2.C6H12O2.C3H6O2/c1-5-6-7-12-21(35-27(43)25(19(2)3)36-24(41)18-31)28(44)39-17-10-14-23(39)29(45)38-16-9-13-22(38)26(42)34-20(4)11-8-15-33-30(32)37-40(46)47;1-5-6-7-12-20(33-25(39)23(29)18(2)3)26(40)36-17-10-14-22(36)27(41)35-16-9-13-21(35)24(38)32-19(4)11-8-15-31-28(30)34-37(42)43;1-3-4-5-10-17(24)21(33)30-15-8-12-19(30)22(34)29-14-7-11-18(29)20(32)27-16(2)9-6-13-26-23(25)28-31(35)36;1-11(5-2-9-19-16(17)21-23(26)27)20-14(24)13-7-4-10-22(13)15(25)12-6-3-8-18-12;1-15(2,3)22-14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20;1-3-4-5-6-7(2)8(9)10;1-5(7)3-2-4-9-6(8)10-11(12)13;1-4(2)5(3)6(7)8;1-2-3(4)5/h19-23,25H,5-18,31H2,1-4H3,(H,34,42)(H,35,43)(H,36,41)(H3,32,33,37);18-23H,5-17,29H2,1-4H3,(H,32,38)(H,33,39)(H3,30,31,34);16-19H,3-15,24H2,1-2H3,(H,27,32)(H3,25,26,28);11-13,18H,2-10H2,1H3,(H,20,24)(H3,17,19,21);10-11H,4-9H2,1-3H3,(H,19,20);7H,3-6H2,1-2H3,(H,9,10);5H,2-4,7H2,1H3,(H3,8,9,10);4-5H,1-3H3,(H,7,8);2H2,1H3,(H,4,5)
InChIKeyUYXPLZGLTIDASU-UHFFFAOYSA-N
XLogP4.08
TPSA1128.78 Ų
H-Bond Donors26
H-Bond Acceptors36
Rotatable Bonds70
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003006.73
LogP ≤ 54.08
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1036

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Analyze 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid with MolForge

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Related Compounds

1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[6-[[(E)-N'-nitrocarbamimidoyl]amino]-2-oxo-1-phenylhexan-3-yl]pyrrolidine-2-carboxamide
CID 172955045
benzyl 2-[2-[1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-oxoethyl]-5-[[(E)-N'-nitrocarbamimidoyl]amino]pentanoate
CID 137158807
2-amino-3-methyl-N-[1-[2-[2-[3-methyl-6-[[(Z)-N'-nitrocarbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxoheptan-2-yl]butanamide
CID 172951782
benzyl 2-[2-[1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-oxoethyl]-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoate
CID 172974558
benzyl 2-[2-[1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-phenylmethoxybutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-oxoethyl]-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoate
CID 172944375
benzyl 2-[2-[1-[1-[2-[(2-amino-3-phenylmethoxybutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-oxoethyl]-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoate
CID 172965607
1-[1-[1-[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22572687
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-[[(Z)-N'-nitrocarbamimidoyl]amino]pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
CID 118730915
benzyl 2-[[1-[1-[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-[[(E)-N'-nitrocarbamimidoyl]amino]pentanoate
CID 173477732
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 52933167
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 175871480
(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 175769140

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid?
The IUPAC name of 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid (CID 172936554) is 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid.
What is the SMILES notation for 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid?
The canonical SMILES for 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid is CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)O.CC(C)C(C)C(=O)O.CC(CCCN/C(N)=N/[N+](=O)[O-])NC(=O)C1CCCN1C(=O)C1CCCN1.CC(N)CCCN/C(N)=N/[N+](=O)[O-].CCC(=O)O.CCCCCC(C)C(=O)O.CCCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].CCCCCC(NC(=O)C(N)C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].CCCCCC(NC(=O)C(NC(=O)CN)C(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)CCCN/C(N)=N/[N+](=O)[O-].
What is the InChIKey of 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid?
The InChIKey is UYXPLZGLTIDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N10O7.C28H51N9O6.C23H42N8O5.C16H29N7O4.C15H24N2O5.C8H16O2.C6H15N5O2.C6H12O2.C3H6O2/c1-5-6-7-12-21(35-27(43)25(19(2)3)36-24(41)18-31)28(44)39-17-10-14-23(39)29(45)38-16-9-13-22(38)26(42)34-20(4)11-8-15-33-30(32)37-40(46)47;1-5-6-7-12-20(33-25(39)23(29)18(2)3)26(40)36-17-10-14-22(36)27(41)35-16-9-13-21(35)24(38)32-19(4)11-8-15-31-28(30)34-37(42)43;1-3-4-5-10-17(24)21(33)30-15-8-12-19(30)22(34)29-14-7-11-18(29)20(32)27-16(2)9-6-13-26-23(25)28-31(35)36;1-11(5-2-9-19-16(17)21-23(26)27)20-14(24)13-7-4-10-22(13)15(25)12-6-3-8-18-12;1-15(2,3)22-14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20;1-3-4-5-6-7(2)8(9)10;1-5(7)3-2-4-9-6(8)10-11(12)13;1-4(2)5(3)6(7)8;1-2-3(4)5/h19-23,25H,5-18,31H2,1-4H3,(H,34,42)(H,35,43)(H,36,41)(H3,32,33,37);18-23H,5-17,29H2,1-4H3,(H,32,38)(H,33,39)(H3,30,31,34);16-19H,3-15,24H2,1-2H3,(H,27,32)(H3,25,26,28);11-13,18H,2-10H2,1H3,(H,20,24)(H3,17,19,21);10-11H,4-9H2,1-3H3,(H,19,20);7H,3-6H2,1-2H3,(H,9,10);5H,2-4,7H2,1H3,(H3,8,9,10);4-5H,1-3H3,(H,7,8);2H2,1H3,(H,4,5).
What are the key properties of 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid?
1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid has a molecular weight of 3006.73 g/mol, XLogP of 4.08, 70 rotatable bonds, 26 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-(2-aminoheptanoyl)pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-[1-[2-[(2-amino-3-methylbutanoyl)amino]heptanoyl]pyrrolidine-2-carbonyl]-N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-aminopentyl)-2-nitroguanidine;2,3-dimethylbutanoic acid;2-methylheptanoic acid;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;N-[5-[[(E)-N'-nitrocarbamimidoyl]amino]pentan-2-yl]-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;propanoic acid is sourced from PubChem (CID 172936554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).