2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid

C115H131N21O29 — CID 172983796

IUPAC2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESC=C1c2ccccc2NC1C(=O)NC(OC1CCN(C(=O)C(C)CC(=O)c2ccc(/C(N)=N/O)cc2)CC1)C(=O)O.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OC(NC(=O)c2[nH]c3ccccc3c2N)C(=O)O)CC1.COc1c(C(=O)NC(OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12.Cc1c(C(=O)NC(OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C29H33N5O8.2C29H33N5O7.C28H32N6O7/c1-16(15-22(35)17-7-9-18(10-8-17)25(30)33-40)28(37)34-13-11-19(12-14-34)42-27(29(38)39)32-26(36)23-24(41-2)20-5-3-4-6-21(20)31-23;2*1-16(15-23(35)18-7-9-19(10-8-18)25(30)33-40)28(37)34-13-11-20(12-14-34)41-27(29(38)39)32-26(36)24-17(2)21-5-3-4-6-22(21)31-24;1-15(14-21(35)16-6-8-17(9-7-16)24(30)33-40)27(37)34-12-10-18(11-13-34)41-26(28(38)39)32-25(36)23-22(29)19-4-2-3-5-20(19)31-23/h3-10,16,19,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);3-10,16,20,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);3-10,16,20,24,27,31,40H,2,11-15H2,1H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15,18,26,31,40H,10-14,29H2,1H3,(H2,30,33)(H,32,36)(H,38,39)
InChIKeyKGPFBVKJJHILKV-UHFFFAOYSA-N
MW2271.43 g/mol
LogP8.89
Rot. Bonds41

About 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid

2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 172983796) has the molecular formula C115H131N21O29 and a molecular weight of 2271.43 g/mol. Its IUPAC name is 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid
PubChem CID172983796
Molecular FormulaC115H131N21O29
Molecular Weight2271.43 g/mol
Exact Mass2269.94
IUPAC Name2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESC=C1c2ccccc2NC1C(=O)NC(OC1CCN(C(=O)C(C)CC(=O)c2ccc(/C(N)=N/O)cc2)CC1)C(=O)O.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OC(NC(=O)c2[nH]c3ccccc3c2N)C(=O)O)CC1.COc1c(C(=O)NC(OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12.Cc1c(C(=O)NC(OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C29H33N5O8.2C29H33N5O7.C28H32N6O7/c1-16(15-22(35)17-7-9-18(10-8-17)25(30)33-40)28(37)34-13-11-19(12-14-34)42-27(29(38)39)32-26(36)23-24(41-2)20-5-3-4-6-21(20)31-23;2*1-16(15-23(35)18-7-9-19(10-8-18)25(30)33-40)28(37)34-13-11-20(12-14-34)41-27(29(38)39)32-26(36)24-17(2)21-5-3-4-6-22(21)31-24;1-15(14-21(35)16-6-8-17(9-7-16)24(30)33-40)27(37)34-12-10-18(11-13-34)41-26(28(38)39)32-25(36)23-22(29)19-4-2-3-5-20(19)31-23/h3-10,16,19,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);3-10,16,20,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);3-10,16,20,24,27,31,40H,2,11-15H2,1H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15,18,26,31,40H,10-14,29H2,1H3,(H2,30,33)(H,32,36)(H,38,39)
InChIKeyKGPFBVKJJHILKV-UHFFFAOYSA-N
XLogP8.89
TPSA781.13 Ų
H-Bond Donors21
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.43
LogP ≤ 58.89
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid with MolForge

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Related Compounds

(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid
CID 172962215
2-[1-(1,3-benzothiazol-2-yl)ethenylamino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;bis(ethyl 6-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]-2-[(3-ethyl-1H-indole-2-carbonyl)amino]-5-oxohexanoate);2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-3H-indole-2-carbonyl)amino]acetic acid
CID 172932904
N'-hydroxy-4-[4-(4-hydroxypiperidin-1-yl)-3-methyl-4-oxobutanoyl]benzenecarboximidamide
CID 173315002
(2S)-2-(1,3-benzothiazole-2-carbonylamino)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;ethyl (2S)-2-[[3-(bromomethyl)-1H-indole-2-carbonyl]amino]-6-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]-5-oxohexanoate;ethyl (2S)-6-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]-2-[[3-(fluoromethyl)-1H-indole-2-carbonyl]amino]-5-oxohexanoate;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]acetic acid
CID 172934425
2-[1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-3,3-dimethylbutanoic acid
CID 19691661
(2S)-2-[1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-3H-indole-2-carbonyl)amino]acetic acid
CID 164704831
2-[1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxy-3,3-dimethylbutanoic acid
CID 167019915
2-[1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 18538416
2-[1-[2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 85088263
[(E)-[amino-[4-[4-(4-butanoylperoxypiperidin-1-yl)-3-methyl-4-oxobutanoyl]phenyl]methylidene]carbamoyl]oxymethyl benzoate
CID 19691795
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
4-(N'-hydroxycarbamimidoyl)-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 91584771

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid (CID 172983796) is 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid is C=C1c2ccccc2NC1C(=O)NC(OC1CCN(C(=O)C(C)CC(=O)c2ccc(/C(N)=N/O)cc2)CC1)C(=O)O.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OC(NC(=O)c2[nH]c3ccccc3c2N)C(=O)O)CC1.COc1c(C(=O)NC(OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12.Cc1c(C(=O)NC(OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12.
What is the InChIKey of 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is KGPFBVKJJHILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O8.2C29H33N5O7.C28H32N6O7/c1-16(15-22(35)17-7-9-18(10-8-17)25(30)33-40)28(37)34-13-11-19(12-14-34)42-27(29(38)39)32-26(36)23-24(41-2)20-5-3-4-6-21(20)31-23;2*1-16(15-23(35)18-7-9-19(10-8-18)25(30)33-40)28(37)34-13-11-20(12-14-34)41-27(29(38)39)32-26(36)24-17(2)21-5-3-4-6-22(21)31-24;1-15(14-21(35)16-6-8-17(9-7-16)24(30)33-40)27(37)34-12-10-18(11-13-34)41-26(28(38)39)32-25(36)23-22(29)19-4-2-3-5-20(19)31-23/h3-10,16,19,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);3-10,16,20,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);3-10,16,20,24,27,31,40H,2,11-15H2,1H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15,18,26,31,40H,10-14,29H2,1H3,(H2,30,33)(H,32,36)(H,38,39).
What are the key properties of 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid?
2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 2271.43 g/mol, XLogP of 8.89, 41 rotatable bonds, 21 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methoxy-1H-indole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methylidene-1,2-dihydroindole-2-carbonyl)amino]acetic acid;2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-methyl-1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 172983796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).