(2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid

C114H125N21O32S — CID 172962211

IUPAC(2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid
SMILESCC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OC(NC(=O)C2=Nc3ccccc3C2=S(=O)=O)C(=O)O)CC1.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(O[C@H](NC(=O)C2=Nc3ccccc3C2C=O)C(=O)O)CC1.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(O[C@H](NC(=O)c2[nH]c3ccccc3c2N)C(=O)O)CC1.COc1c(C(=O)N[C@@H](OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C29H33N5O8.C29H31N5O8.C28H32N6O7.C28H29N5O9S/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;1-16(14-23(36)17-6-8-18(9-7-17)25(30)33-41)28(38)34-12-10-19(11-13-34)42-27(29(39)40)32-26(37)24-21(15-35)20-4-2-3-5-22(20)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;1-15(14-21(34)16-6-8-17(9-7-16)24(29)32-39)27(36)33-12-10-18(11-13-33)42-26(28(37)38)31-25(35)22-23(43(40)41)19-4-2-3-5-20(19)30-22/h3-10,16,19,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15-16,19,21,27,41H,10-14H2,1H3,(H2,30,33)(H,32,37)(H,39,40);2-9,15,18,26,31,40H,10-14,29H2,1H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15,18,26,39H,10-14H2,1H3,(H2,29,32)(H,31,35)(H,37,38)/t16?,27-;16?,21?,27-;15?,26-;/m000./s1
InChIKeyFBVLQQSHUZKWOZ-GJTUENAGSA-N
MW2333.44 g/mol
LogP6.53
Rot. Bonds42

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

(2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid (PubChem CID 172962211) has the molecular formula C114H125N21O32S and a molecular weight of 2333.44 g/mol. Its IUPAC name is (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid
PubChem CID172962211
Molecular FormulaC114H125N21O32S
Molecular Weight2333.44 g/mol
Exact Mass2331.85
IUPAC Name(2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid
SMILESCC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OC(NC(=O)C2=Nc3ccccc3C2=S(=O)=O)C(=O)O)CC1.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(O[C@H](NC(=O)C2=Nc3ccccc3C2C=O)C(=O)O)CC1.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(O[C@H](NC(=O)c2[nH]c3ccccc3c2N)C(=O)O)CC1.COc1c(C(=O)N[C@@H](OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C29H33N5O8.C29H31N5O8.C28H32N6O7.C28H29N5O9S/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;1-16(14-23(36)17-6-8-18(9-7-17)25(30)33-41)28(38)34-12-10-19(11-13-34)42-27(29(39)40)32-26(37)24-21(15-35)20-4-2-3-5-22(20)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;1-15(14-21(34)16-6-8-17(9-7-16)24(29)32-39)27(36)33-12-10-18(11-13-33)42-26(28(37)38)31-25(35)22-23(43(40)41)19-4-2-3-5-20(19)30-22/h3-10,16,19,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15-16,19,21,27,41H,10-14H2,1H3,(H2,30,33)(H,32,37)(H,39,40);2-9,15,18,26,31,40H,10-14,29H2,1H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15,18,26,39H,10-14H2,1H3,(H2,29,32)(H,31,35)(H,37,38)/t16?,27-;16?,21?,27-;15?,26-;/m000./s1
InChIKeyFBVLQQSHUZKWOZ-GJTUENAGSA-N
XLogP6.53
TPSA829.24 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002333.44
LogP ≤ 56.53
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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'}

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid?
The IUPAC name of (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid (CID 172962211) is (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid is CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OC(NC(=O)C2=Nc3ccccc3C2=S(=O)=O)C(=O)O)CC1.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(O[C@H](NC(=O)C2=Nc3ccccc3C2C=O)C(=O)O)CC1.CC(CC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(O[C@H](NC(=O)c2[nH]c3ccccc3c2N)C(=O)O)CC1.COc1c(C(=O)N[C@@H](OC2CCN(C(=O)C(C)CC(=O)c3ccc(/C(N)=N/O)cc3)CC2)C(=O)O)[nH]c2ccccc12.
What is the InChIKey of (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid?
The InChIKey is FBVLQQSHUZKWOZ-GJTUENAGSA-N. The full InChI is InChI=1S/C29H33N5O8.C29H31N5O8.C28H32N6O7.C28H29N5O9S/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;1-16(14-23(36)17-6-8-18(9-7-17)25(30)33-41)28(38)34-12-10-19(11-13-34)42-27(29(39)40)32-26(37)24-21(15-35)20-4-2-3-5-22(20)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;1-15(14-21(34)16-6-8-17(9-7-16)24(29)32-39)27(36)33-12-10-18(11-13-33)42-26(28(37)38)31-25(35)22-23(43(40)41)19-4-2-3-5-20(19)30-22/h3-10,16,19,27,31,40H,11-15H2,1-2H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15-16,19,21,27,41H,10-14H2,1H3,(H2,30,33)(H,32,37)(H,39,40);2-9,15,18,26,31,40H,10-14,29H2,1H3,(H2,30,33)(H,32,36)(H,38,39);2-9,15,18,26,39H,10-14H2,1H3,(H2,29,32)(H,31,35)(H,37,38)/t16?,27-;16?,21?,27-;15?,26-;/m000./s1.
What are the key properties of (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid?
(2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid has a molecular weight of 2333.44 g/mol, XLogP of 6.53, 42 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-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;(2S)-2-[(3-formyl-3H-indole-2-carbonyl)amino]-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid;(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;(2S)-2-[1-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxy-2-[(3-sulfonylindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 172962211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).