(2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C65H118Cl3N17O29S10 — CID 159621398

IUPAC(2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC.C.C.CC(C)(C)OC(=O)CO.COC(=O)[C@@H](N)C/N=C(\N)NS(C)(=O)=O.COC(=O)[C@H](C/N=C(/NS(C)(=O)=O)SC)NC(=O)OC(C)(C)C.CS(=O)(=O)N/C(N)=N/C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O.CS(N)(=O)=O.CS/C(=N\C[C@H](NC(=O)OC(C)(C)C)C(=O)O)NS(C)(=O)=O.CSC(=NS(C)(=O)=O)SC
InChIInChI=1S/C22H22Cl3N5O6S.C12H23N3O6S2.C11H21N3O6S2.C6H14N4O4S.C6H12O3.C4H9NO2S3.CH5NO2S.3CH4/c1-37(35,36)29-22(26)27-9-16(21(33)34)28-19(31)17-15(24)8-12-10-30(7-6-14(12)18(17)25)20(32)11-2-4-13(23)5-3-11;1-12(2,3)21-11(17)14-8(9(16)20-4)7-13-10(22-5)15-23(6,18)19;1-11(2,3)20-10(17)13-7(8(15)16)6-12-9(21-4)14-22(5,18)19;1-14-5(11)4(7)3-9-6(8)10-15(2,12)13;1-6(2,3)9-5(8)4-7;1-8-4(9-2)5-10(3,6)7;1-5(2,3)4;;;/h2-5,8,16H,6-7,9-10H2,1H3,(H,28,31)(H,33,34)(H3,26,27,29);8H,7H2,1-6H3,(H,13,15)(H,14,17);7H,6H2,1-5H3,(H,12,14)(H,13,17)(H,15,16);4H,3,7H2,1-2H3,(H3,8,9,10);7H,4H2,1-3H3;1-3H3;1H3,(H2,2,3,4);3*1H4/t16-;8-;7-;4-;;;;;;/m0000....../s1
InChIKeyMNXWBAMPWWQQTA-ZWHLQQDNSA-N
MW2028.78 g/mol
LogP1.96
Rot. Bonds23

About (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 159621398) has the molecular formula C65H118Cl3N17O29S10 and a molecular weight of 2028.78 g/mol. Its IUPAC name is (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID159621398
Molecular FormulaC65H118Cl3N17O29S10
Molecular Weight2028.78 g/mol
Exact Mass2025.46
IUPAC Name(2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC.C.C.CC(C)(C)OC(=O)CO.COC(=O)[C@@H](N)C/N=C(\N)NS(C)(=O)=O.COC(=O)[C@H](C/N=C(/NS(C)(=O)=O)SC)NC(=O)OC(C)(C)C.CS(=O)(=O)N/C(N)=N/C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O.CS(N)(=O)=O.CS/C(=N\C[C@H](NC(=O)OC(C)(C)C)C(=O)O)NS(C)(=O)=O.CSC(=NS(C)(=O)=O)SC
InChIInChI=1S/C22H22Cl3N5O6S.C12H23N3O6S2.C11H21N3O6S2.C6H14N4O4S.C6H12O3.C4H9NO2S3.CH5NO2S.3CH4/c1-37(35,36)29-22(26)27-9-16(21(33)34)28-19(31)17-15(24)8-12-10-30(7-6-14(12)18(17)25)20(32)11-2-4-13(23)5-3-11;1-12(2,3)21-11(17)14-8(9(16)20-4)7-13-10(22-5)15-23(6,18)19;1-11(2,3)20-10(17)13-7(8(15)16)6-12-9(21-4)14-22(5,18)19;1-14-5(11)4(7)3-9-6(8)10-15(2,12)13;1-6(2,3)9-5(8)4-7;1-8-4(9-2)5-10(3,6)7;1-5(2,3)4;;;/h2-5,8,16H,6-7,9-10H2,1H3,(H,28,31)(H,33,34)(H3,26,27,29);8H,7H2,1-6H3,(H,13,15)(H,14,17);7H,6H2,1-5H3,(H,12,14)(H,13,17)(H,15,16);4H,3,7H2,1-2H3,(H3,8,9,10);7H,4H2,1-3H3;1-3H3;1H3,(H2,2,3,4);3*1H4/t16-;8-;7-;4-;;;;;;/m0000....../s1
InChIKeyMNXWBAMPWWQQTA-ZWHLQQDNSA-N
XLogP1.96
TPSA718.64 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.78
LogP ≤ 51.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

(2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-3-[(4-chloropyrimidin-2-yl)amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-3-[(4-chloropyrimidin-2-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;2,4-dichloropyrimidine;methyl (2S)-2-amino-3-[(4-chloropyrimidin-2-yl)amino]propanoate;methyl (2S)-3-[(4-chloropyrimidin-2-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 160621043
methyl 2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylpyrrol-1-yl)propanoate
CID 59640824
(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59640677
(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid
CID 11964724
(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(3S)-4-hydroxy-1-(isocyanoamino)-3-methylbutylidene]amino]propanoic acid
CID 58277769
(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;(2S)-2-[[5,7-dichloro-2-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propanoic acid
CID 163850727
benzyl (2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-6-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-oxohexanoate;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-6-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-oxohexanoic acid;methane
CID 167597861
(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-chloro-5-methylsulfonylphenyl)propanoic acid
CID 62705408
(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propanoic acid
CID 158398769
2-[[5,7-dichloro-2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid
CID 73155654
(2S)-2-[[5,7-dichloro-2-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(methyliminomethylamino)-pyrrolidin-1-ylmethylidene]amino]propanoic acid
CID 129155360
(2S)-3-[[[(3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl]-(isocyanoamino)methylidene]amino]-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid
CID 59640791

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 159621398) is (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C.C.C.CC(C)(C)OC(=O)CO.COC(=O)[C@@H](N)C/N=C(\N)NS(C)(=O)=O.COC(=O)[C@H](C/N=C(/NS(C)(=O)=O)SC)NC(=O)OC(C)(C)C.CS(=O)(=O)N/C(N)=N/C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O.CS(N)(=O)=O.CS/C(=N\C[C@H](NC(=O)OC(C)(C)C)C(=O)O)NS(C)(=O)=O.CSC(=NS(C)(=O)=O)SC.
What is the InChIKey of (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is MNXWBAMPWWQQTA-ZWHLQQDNSA-N. The full InChI is InChI=1S/C22H22Cl3N5O6S.C12H23N3O6S2.C11H21N3O6S2.C6H14N4O4S.C6H12O3.C4H9NO2S3.CH5NO2S.3CH4/c1-37(35,36)29-22(26)27-9-16(21(33)34)28-19(31)17-15(24)8-12-10-30(7-6-14(12)18(17)25)20(32)11-2-4-13(23)5-3-11;1-12(2,3)21-11(17)14-8(9(16)20-4)7-13-10(22-5)15-23(6,18)19;1-11(2,3)20-10(17)13-7(8(15)16)6-12-9(21-4)14-22(5,18)19;1-14-5(11)4(7)3-9-6(8)10-15(2,12)13;1-6(2,3)9-5(8)4-7;1-8-4(9-2)5-10(3,6)7;1-5(2,3)4;;;/h2-5,8,16H,6-7,9-10H2,1H3,(H,28,31)(H,33,34)(H3,26,27,29);8H,7H2,1-6H3,(H,13,15)(H,14,17);7H,6H2,1-5H3,(H,12,14)(H,13,17)(H,15,16);4H,3,7H2,1-2H3,(H3,8,9,10);7H,4H2,1-3H3;1-3H3;1H3,(H2,2,3,4);3*1H4/t16-;8-;7-;4-;;;;;;/m0000....../s1.
What are the key properties of (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 2028.78 g/mol, XLogP of 1.96, 23 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[amino(methanesulfonamido)methylidene]amino]-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;N-[bis(methylsulfanyl)methylidene]methanesulfonamide;tert-butyl 2-hydroxyacetate;methane;methanesulfonamide;(2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methyl (2S)-2-amino-3-[[amino(methanesulfonamido)methylidene]amino]propanoate;methyl (2S)-3-[[methanesulfonamido(methylsulfanyl)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 159621398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).