2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate

C137H135N15O34S10 — CID 163977990

IUPAC2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
SMILESCCCCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1.CCCCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)OCC)Cc1cccs1.COC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC.COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1.COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C30H33N3O7S2.C28H29N3O7S2.C28H25N3O6S2.C26H25N3O7S2.C25H23N3O7S2/c1-3-5-16-40-26-11-7-6-10-24(26)29(30(36)33(20-28(35)39-4-2)19-22-9-8-17-41-22)32-42(37,38)23-13-14-25-21(18-23)12-15-27(34)31-25;1-2-3-14-38-24-9-5-4-8-22(24)27(28(35)31(18-26(33)34)17-20-7-6-15-39-20)30-40(36,37)21-11-12-23-19(16-21)10-13-25(32)29-23;1-36-25-9-3-2-8-23(25)27(28(33)31(17-20-6-4-14-37-20)18-21-7-5-15-38-21)30-39(34,35)22-11-12-24-19(16-22)10-13-26(32)29-24;1-35-22-8-4-3-7-20(22)25(26(32)29(16-24(31)36-2)15-18-6-5-13-37-18)28-38(33,34)19-10-11-21-17(14-19)9-12-23(30)27-21;1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h6-15,17-18,29,32H,3-5,16,19-20H2,1-2H3,(H,31,34);4-13,15-16,27,30H,2-3,14,17-18H2,1H3,(H,29,32)(H,33,34);2-16,27,30H,17-18H2,1H3,(H,29,32);3-14,25,28H,15-16H2,1-2H3,(H,27,30);2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t29-;2*27-;25-;24-/m11111/s1
InChIKeySVVUEVIJIUVYEA-YFNQHEFNSA-N
MW2856.33 g/mol
LogP18.27
Rot. Bonds57

About 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate

2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate (PubChem CID 163977990) has the molecular formula C137H135N15O34S10 and a molecular weight of 2856.33 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Name2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
PubChem CID163977990
Molecular FormulaC137H135N15O34S10
Molecular Weight2856.33 g/mol
Exact Mass2853.65
IUPAC Name2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
SMILESCCCCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1.CCCCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)OCC)Cc1cccs1.COC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC.COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1.COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C30H33N3O7S2.C28H29N3O7S2.C28H25N3O6S2.C26H25N3O7S2.C25H23N3O7S2/c1-3-5-16-40-26-11-7-6-10-24(26)29(30(36)33(20-28(35)39-4-2)19-22-9-8-17-41-22)32-42(37,38)23-13-14-25-21(18-23)12-15-27(34)31-25;1-2-3-14-38-24-9-5-4-8-22(24)27(28(35)31(18-26(33)34)17-20-7-6-15-39-20)30-40(36,37)21-11-12-23-19(16-21)10-13-25(32)29-23;1-36-25-9-3-2-8-23(25)27(28(33)31(17-20-6-4-14-37-20)18-21-7-5-15-38-21)30-39(34,35)22-11-12-24-19(16-22)10-13-26(32)29-24;1-35-22-8-4-3-7-20(22)25(26(32)29(16-24(31)36-2)15-18-6-5-13-37-18)28-38(33,34)19-10-11-21-17(14-19)9-12-23(30)27-21;1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h6-15,17-18,29,32H,3-5,16,19-20H2,1-2H3,(H,31,34);4-13,15-16,27,30H,2-3,14,17-18H2,1H3,(H,29,32)(H,33,34);2-16,27,30H,17-18H2,1H3,(H,29,32);3-14,25,28H,15-16H2,1-2H3,(H,27,30);2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t29-;2*27-;25-;24-/m11111/s1
InChIKeySVVUEVIJIUVYEA-YFNQHEFNSA-N
XLogP18.27
TPSA683.19 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds57
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.33
LogP ≤ 518.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid
CID 163977991
ethyl 4-[2-[2-[(2-ethoxy-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]butanoate
CID 146425424
methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
CID 146014494
ethyl 4-[2-[2-[(3-methyl-2-oxobutyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]butanoate;molecular hydrogen
CID 178107653
ethyl 1-[[2-[(1R)-2-[(2-ethoxy-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]methyl]cyclopropane-1-carboxylate
CID 166830843
(2S)-N-ethyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-(2-propoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 162476878
carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 163751200
1-[[2-[(1R)-2-[carboxymethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 162476872
(2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 129227612
(2S)-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 129227908
(2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
CID 175157655
(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
CID 163523503

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
The IUPAC name of 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate (CID 163977990) is 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate.
What is the SMILES notation for 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
The canonical SMILES for 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate is CCCCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1.CCCCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)OCC)Cc1cccs1.COC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC.COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(CC(=O)O)Cc1cccs1.COc1ccccc1[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
The InChIKey is SVVUEVIJIUVYEA-YFNQHEFNSA-N. The full InChI is InChI=1S/C30H33N3O7S2.C28H29N3O7S2.C28H25N3O6S2.C26H25N3O7S2.C25H23N3O7S2/c1-3-5-16-40-26-11-7-6-10-24(26)29(30(36)33(20-28(35)39-4-2)19-22-9-8-17-41-22)32-42(37,38)23-13-14-25-21(18-23)12-15-27(34)31-25;1-2-3-14-38-24-9-5-4-8-22(24)27(28(35)31(18-26(33)34)17-20-7-6-15-39-20)30-40(36,37)21-11-12-23-19(16-21)10-13-25(32)29-23;1-36-25-9-3-2-8-23(25)27(28(33)31(17-20-6-4-14-37-20)18-21-7-5-15-38-21)30-39(34,35)22-11-12-24-19(16-22)10-13-26(32)29-24;1-35-22-8-4-3-7-20(22)25(26(32)29(16-24(31)36-2)15-18-6-5-13-37-18)28-38(33,34)19-10-11-21-17(14-19)9-12-23(30)27-21;1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h6-15,17-18,29,32H,3-5,16,19-20H2,1-2H3,(H,31,34);4-13,15-16,27,30H,2-3,14,17-18H2,1H3,(H,29,32)(H,33,34);2-16,27,30H,17-18H2,1H3,(H,29,32);3-14,25,28H,15-16H2,1-2H3,(H,27,30);2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t29-;2*27-;25-;24-/m11111/s1.
What are the key properties of 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 2856.33 g/mol, XLogP of 18.27, 57 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 163977990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).