(1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C34H50N6O7S2 — CID 11571246

About (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 11571246) has the molecular formula C34H50N6O7S2 and a molecular weight of 718.94 g/mol. Its IUPAC name is (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 11571246
• Molecular Formula: C34H50N6O7S2
• Molecular Weight: 718.94 g/mol
• Exact Mass: 718.32
• IUPAC Name: (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC(C)(C)[C@H](NC(=O)NC1(CN2Cc3sccc3S2(=O)=O)CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C
• InChI: InChI=1S/C34H50N6O7S2/c1-32(2,3)27(37-31(45)38-34(12-7-6-8-13-34)18-39-17-22-23(11-14-48-22)49(39,46)47)30(44)40-16-20-24(33(20,4)5)25(40)29(43)36-21(15-19-9-10-19)26(41)28(35)42/h11,14,19-21,24-25,27H,6-10,12-13,15-18H2,1-5H3,(H2,35,42)(H,36,43)(H2,37,38,45)/t20-,21?,24-,25?,27+/m0/s1
• InChIKey: IEKGVLYNWKLETH-YSCKNWKXSA-N
• XLogP: 2.49
• TPSA: 188.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	718.94
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 11571246) is (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC(C)(C)[C@H](NC(=O)NC1(CN2Cc3sccc3S2(=O)=O)CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C.

What is the InChIKey of (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is IEKGVLYNWKLETH-YSCKNWKXSA-N. The full InChI is InChI=1S/C34H50N6O7S2/c1-32(2,3)27(37-31(45)38-34(12-7-6-8-13-34)18-39-17-22-23(11-14-48-22)49(39,46)47)30(44)40-16-20-24(33(20,4)5)25(40)29(43)36-21(15-19-9-10-19)26(41)28(35)42/h11,14,19-21,24-25,27H,6-10,12-13,15-18H2,1-5H3,(H2,35,42)(H,36,43)(H2,37,38,45)/t20-,21?,24-,25?,27+/m0/s1.

What are the key properties of (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

(1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 718.94 g/mol, XLogP of 2.49, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-[(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 11571246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).