(2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

C162H199N19O26S — CID 163554798

IUPAC(2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
SMILESC=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1nc2ccccc2o1.COC1C(C(=O)N[C@@H](Cc2ccc(OCCCCC3CCNCC3)cc2)C(=O)O)=Nc2ccccc21.NC1C(C(=O)N[C@@H](Cc2ccc(OCCCCC3CCNCC3)cc2)C(=O)O)=Nc2ccccc21.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)C1=Nc2ccccc2C1O.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1cc2ccccc2[nH]1.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1nc2ccccc2s1
InChIInChI=1S/C28H35N3O5.C27H34N4O4.C27H33N3O5.2C27H33N3O4.C26H31N3O4S/c1-35-26-22-7-2-3-8-23(22)30-25(26)27(32)31-24(28(33)34)18-20-9-11-21(12-10-20)36-17-5-4-6-19-13-15-29-16-14-19;28-24-21-6-1-2-7-22(21)30-25(24)26(32)31-23(27(33)34)17-19-8-10-20(11-9-19)35-16-4-3-5-18-12-14-29-15-13-18;31-25-21-6-1-2-7-22(21)29-24(25)26(32)30-23(27(33)34)17-19-8-10-20(11-9-19)35-16-4-3-5-18-12-14-28-15-13-18;1-19(26-30-23-7-2-3-8-25(23)34-26)29-24(27(31)32)18-21-9-11-22(12-10-21)33-17-5-4-6-20-13-15-28-16-14-20;31-26(24-18-21-6-1-2-7-23(21)29-24)30-25(27(32)33)17-20-8-10-22(11-9-20)34-16-4-3-5-19-12-14-28-15-13-19;30-24(25-29-21-6-1-2-7-23(21)34-25)28-22(26(31)32)17-19-8-10-20(11-9-19)33-16-4-3-5-18-12-14-27-15-13-18/h2-3,7-12,19,24,26,29H,4-6,13-18H2,1H3,(H,31,32)(H,33,34);1-2,6-11,18,23-24,29H,3-5,12-17,28H2,(H,31,32)(H,33,34);1-2,6-11,18,23,25,28,31H,3-5,12-17H2,(H,30,32)(H,33,34);2-3,7-12,20,24,28-29H,1,4-6,13-18H2,(H,31,32);1-2,6-11,18-19,25,28-29H,3-5,12-17H2,(H,30,31)(H,32,33);1-2,6-11,18,22,27H,3-5,12-17H2,(H,28,30)(H,31,32)/t24-,26?;23-,24?;23-,25?;24-;25-;22-/m000000/s1
InChIKeyFMCVBKFUHFOONZ-FYPCDEHISA-N
MW2860.55 g/mol
LogP23.17
Rot. Bonds68

About (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

(2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid (PubChem CID 163554798) has the molecular formula C162H199N19O26S and a molecular weight of 2860.55 g/mol. Its IUPAC name is (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
PubChem CID163554798
Molecular FormulaC162H199N19O26S
Molecular Weight2860.55 g/mol
Exact Mass2858.46
IUPAC Name(2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
SMILESC=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1nc2ccccc2o1.COC1C(C(=O)N[C@@H](Cc2ccc(OCCCCC3CCNCC3)cc2)C(=O)O)=Nc2ccccc21.NC1C(C(=O)N[C@@H](Cc2ccc(OCCCCC3CCNCC3)cc2)C(=O)O)=Nc2ccccc21.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)C1=Nc2ccccc2C1O.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1cc2ccccc2[nH]1.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1nc2ccccc2s1
InChIInChI=1S/C28H35N3O5.C27H34N4O4.C27H33N3O5.2C27H33N3O4.C26H31N3O4S/c1-35-26-22-7-2-3-8-23(22)30-25(26)27(32)31-24(28(33)34)18-20-9-11-21(12-10-20)36-17-5-4-6-19-13-15-29-16-14-19;28-24-21-6-1-2-7-22(21)30-25(24)26(32)31-23(27(33)34)17-19-8-10-20(11-9-19)35-16-4-3-5-18-12-14-29-15-13-18;31-25-21-6-1-2-7-22(21)29-24(25)26(32)30-23(27(33)34)17-19-8-10-20(11-9-19)35-16-4-3-5-18-12-14-28-15-13-18;1-19(26-30-23-7-2-3-8-25(23)34-26)29-24(27(31)32)18-21-9-11-22(12-10-21)33-17-5-4-6-20-13-15-28-16-14-20;31-26(24-18-21-6-1-2-7-23(21)29-24)30-25(27(32)33)17-20-8-10-22(11-9-20)34-16-4-3-5-19-12-14-28-15-13-19;30-24(25-29-21-6-1-2-7-23(21)34-25)28-22(26(31)32)17-19-8-10-20(11-9-19)33-16-4-3-5-18-12-14-27-15-13-18/h2-3,7-12,19,24,26,29H,4-6,13-18H2,1H3,(H,31,32)(H,33,34);1-2,6-11,18,23-24,29H,3-5,12-17,28H2,(H,31,32)(H,33,34);1-2,6-11,18,23,25,28,31H,3-5,12-17H2,(H,30,32)(H,33,34);2-3,7-12,20,24,28-29H,1,4-6,13-18H2,(H,31,32);1-2,6-11,18-19,25,28-29H,3-5,12-17H2,(H,30,31)(H,32,33);1-2,6-11,18,22,27H,3-5,12-17H2,(H,28,30)(H,31,32)/t24-,26?;23-,24?;23-,25?;24-;25-;22-/m000000/s1
InChIKeyFMCVBKFUHFOONZ-FYPCDEHISA-N
XLogP23.17
TPSA656.16 Ų
H-Bond Donors21
H-Bond Acceptors34
Rotatable Bonds68
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002860.55
LogP ≤ 523.17
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?
The IUPAC name of (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid (CID 163554798) is (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is C=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1nc2ccccc2o1.COC1C(C(=O)N[C@@H](Cc2ccc(OCCCCC3CCNCC3)cc2)C(=O)O)=Nc2ccccc21.NC1C(C(=O)N[C@@H](Cc2ccc(OCCCCC3CCNCC3)cc2)C(=O)O)=Nc2ccccc21.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)C1=Nc2ccccc2C1O.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1cc2ccccc2[nH]1.O=C(N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O)c1nc2ccccc2s1.
What is the InChIKey of (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?
The InChIKey is FMCVBKFUHFOONZ-FYPCDEHISA-N. The full InChI is InChI=1S/C28H35N3O5.C27H34N4O4.C27H33N3O5.2C27H33N3O4.C26H31N3O4S/c1-35-26-22-7-2-3-8-23(22)30-25(26)27(32)31-24(28(33)34)18-20-9-11-21(12-10-20)36-17-5-4-6-19-13-15-29-16-14-19;28-24-21-6-1-2-7-22(21)30-25(24)26(32)31-23(27(33)34)17-19-8-10-20(11-9-19)35-16-4-3-5-18-12-14-29-15-13-18;31-25-21-6-1-2-7-22(21)29-24(25)26(32)30-23(27(33)34)17-19-8-10-20(11-9-19)35-16-4-3-5-18-12-14-28-15-13-18;1-19(26-30-23-7-2-3-8-25(23)34-26)29-24(27(31)32)18-21-9-11-22(12-10-21)33-17-5-4-6-20-13-15-28-16-14-20;31-26(24-18-21-6-1-2-7-23(21)29-24)30-25(27(32)33)17-20-8-10-22(11-9-20)34-16-4-3-5-19-12-14-28-15-13-19;30-24(25-29-21-6-1-2-7-23(21)34-25)28-22(26(31)32)17-19-8-10-20(11-9-19)33-16-4-3-5-18-12-14-27-15-13-18/h2-3,7-12,19,24,26,29H,4-6,13-18H2,1H3,(H,31,32)(H,33,34);1-2,6-11,18,23-24,29H,3-5,12-17,28H2,(H,31,32)(H,33,34);1-2,6-11,18,23,25,28,31H,3-5,12-17H2,(H,30,32)(H,33,34);2-3,7-12,20,24,28-29H,1,4-6,13-18H2,(H,31,32);1-2,6-11,18-19,25,28-29H,3-5,12-17H2,(H,30,31)(H,32,33);1-2,6-11,18,22,27H,3-5,12-17H2,(H,28,30)(H,31,32)/t24-,26?;23-,24?;23-,25?;24-;25-;22-/m000000/s1.
What are the key properties of (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?
(2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid has a molecular weight of 2860.55 g/mol, XLogP of 23.17, 68 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1,3-benzothiazole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[1-(1,3-benzoxazol-2-yl)ethenylamino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-hydroxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-(1H-indole-2-carbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;(2S)-2-[(3-methoxy-3H-indole-2-carbonyl)amino]-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is sourced from PubChem (CID 163554798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).