(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide

C25H33N3O6 — CID 25064267

IUPAC(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide
SMILESCOc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](C[C@@H](N)CCCC(=O)NO)OCCC2
InChIInChI=1S/C25H33N3O6/c1-32-20-13-17-6-5-11-33-23(15-19(26)7-4-10-24(29)28-31)25(30)27-21-8-2-3-9-22(21)34-16-18(12-17)14-20/h2-3,8-9,12-14,19,23,31H,4-7,10-11,15-16,26H2,1H3,(H,27,30)(H,28,29)/t19-,23+/m0/s1
InChIKeyZWMXYWSDCIAMAE-WMZHIEFXSA-N
MW471.55 g/mol
LogP2.94
Rot. Bonds7

About (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide

(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide (PubChem CID 25064267) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide.

Molecular Properties

Compound Name(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide
PubChem CID25064267
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide
SMILESCOc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](C[C@@H](N)CCCC(=O)NO)OCCC2
InChIInChI=1S/C25H33N3O6/c1-32-20-13-17-6-5-11-33-23(15-19(26)7-4-10-24(29)28-31)25(30)27-21-8-2-3-9-22(21)34-16-18(12-17)14-20/h2-3,8-9,12-14,19,23,31H,4-7,10-11,15-16,26H2,1H3,(H,27,30)(H,28,29)/t19-,23+/m0/s1
InChIKeyZWMXYWSDCIAMAE-WMZHIEFXSA-N
XLogP2.94
TPSA132.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide?
The IUPAC name of (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide (CID 25064267) is (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide.
What is the SMILES notation for (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide?
The canonical SMILES for (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide is COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](C[C@@H](N)CCCC(=O)NO)OCCC2.
What is the InChIKey of (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide?
The InChIKey is ZWMXYWSDCIAMAE-WMZHIEFXSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-32-20-13-17-6-5-11-33-23(15-19(26)7-4-10-24(29)28-31)25(30)27-21-8-2-3-9-22(21)34-16-18(12-17)14-20/h2-3,8-9,12-14,19,23,31H,4-7,10-11,15-16,26H2,1H3,(H,27,30)(H,28,29)/t19-,23+/m0/s1.
What are the key properties of (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide?
(5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide has a molecular weight of 471.55 g/mol, XLogP of 2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-N-hydroxy-6-[(12R)-19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl]hexanamide is sourced from PubChem (CID 25064267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).