(12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide

C90H113N11O22 — CID 159685532

About (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide

(12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide (PubChem CID 159685532) has the molecular formula C90H113N11O22 and a molecular weight of 1700.95 g/mol. Its IUPAC name is (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide.

Molecular Properties

• Compound Name: (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide
• PubChem CID: 159685532
• Molecular Formula: C90H113N11O22
• Molecular Weight: 1700.95 g/mol
• Exact Mass: 1699.81
• IUPAC Name: (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide
• SMILES: CC[C@@H](N)C[C@H]1OCCCc2cc(cc(OC)c2)COc2ccccc2NC1=O.COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](C[C@@H](N)CC(=O)NO)OCCC2.COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H]([C@@H](N)CC(=O)NO)OCCC2.COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H]([C@H](N)CC(=O)NO)OCCC2
• InChI: InChI=1S/C23H29N3O6.C23H30N2O4.2C22H27N3O6/c1-30-18-10-15-5-4-8-31-21(12-17(24)13-22(27)26-29)23(28)25-19-6-2-3-7-20(19)32-14-16(9-15)11-18;1-3-18(24)14-22-23(26)25-20-8-4-5-9-21(20)29-15-17-11-16(7-6-10-28-22)12-19(13-17)27-2;2*1-29-16-10-14-5-4-8-30-21(17(23)12-20(26)25-28)22(27)24-18-6-2-3-7-19(18)31-13-15(9-14)11-16/h2-3,6-7,9-11,17,21,29H,4-5,8,12-14,24H2,1H3,(H,25,28)(H,26,27);4-5,8-9,11-13,18,22H,3,6-7,10,14-15,24H2,1-2H3,(H,25,26);2*2-3,6-7,9-11,17,21,28H,4-5,8,12-13,23H2,1H3,(H,24,27)(H,25,26)/t17-,21-;18-,22-;17-,21+;17-,21-/m1101/s1
• InChIKey: MVTBDGSFMVBVGY-FCDSUORYSA-N
• XLogP: 9.36
• TPSA: 479.23 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.95
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide?

The IUPAC name of (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide (CID 159685532) is (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide.

What is the SMILES notation for (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide?

The canonical SMILES for (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide is CC[C@@H](N)C[C@H]1OCCCc2cc(cc(OC)c2)COc2ccccc2NC1=O.COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](C[C@@H](N)CC(=O)NO)OCCC2.COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H]([C@@H](N)CC(=O)NO)OCCC2.COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H]([C@H](N)CC(=O)NO)OCCC2.

What is the InChIKey of (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide?

The InChIKey is MVTBDGSFMVBVGY-FCDSUORYSA-N. The full InChI is InChI=1S/C23H29N3O6.C23H30N2O4.2C22H27N3O6/c1-30-18-10-15-5-4-8-31-21(12-17(24)13-22(27)26-29)23(28)25-19-6-2-3-7-20(19)32-14-16(9-15)11-18;1-3-18(24)14-22-23(26)25-20-8-4-5-9-21(20)29-15-17-11-16(7-6-10-28-22)12-19(13-17)27-2;2*1-29-16-10-14-5-4-8-30-21(17(23)12-20(26)25-28)22(27)24-18-6-2-3-7-19(18)31-13-15(9-14)11-16/h2-3,6-7,9-11,17,21,29H,4-5,8,12-14,24H2,1H3,(H,25,28)(H,26,27);4-5,8-9,11-13,18,22H,3,6-7,10,14-15,24H2,1-2H3,(H,25,26);2*2-3,6-7,9-11,17,21,28H,4-5,8,12-13,23H2,1H3,(H,24,27)(H,25,26)/t17-,21-;18-,22-;17-,21+;17-,21-/m1101/s1.

What are the key properties of (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide?

(12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide has a molecular weight of 1700.95 g/mol, XLogP of 9.36, 17 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (12R)-12-[(2R)-2-aminobutyl]-19-methoxy-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-11-one;(3R)-3-amino-N-hydroxy-4-[(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]butanamide;(3R)-3-amino-N-hydroxy-3-[(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]propanamide;(3S)-3-amino-N-hydroxy-3-[(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]propanamide is sourced from PubChem (CID 159685532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).