[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate

C34H32N4O6 — CID 163967092

About [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate

[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate (PubChem CID 163967092) has the molecular formula C34H32N4O6 and a molecular weight of 592.65 g/mol. Its IUPAC name is [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate.

Molecular Properties

• Compound Name: [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate
• PubChem CID: 163967092
• Molecular Formula: C34H32N4O6
• Molecular Weight: 592.65 g/mol
• Exact Mass: 592.23
• IUPAC Name: [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate
• SMILES: CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(CC)OC(=O)[C@H](N)Cc1cn(C)c2ccccc12
• InChI: InChI=1S/C34H32N4O6/c1-4-20-22-13-19(39)10-11-27(22)36-30-23(20)16-38-29(30)14-25-24(31(38)40)17-43-33(42)34(25,5-2)44-32(41)26(35)12-18-15-37(3)28-9-7-6-8-21(18)28/h6-11,13-15,26,39H,4-5,12,16-17,35H2,1-3H3/t26-,34-/m1/s1
• InChIKey: SMSZYOUOZICWBB-OOXUFLSTSA-N
• XLogP: 3.96
• TPSA: 138.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.65
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate?

The IUPAC name of [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate (CID 163967092) is [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate.

What is the SMILES notation for [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate?

The canonical SMILES for [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate is CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(CC)OC(=O)[C@H](N)Cc1cn(C)c2ccccc12.

What is the InChIKey of [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate?

The InChIKey is SMSZYOUOZICWBB-OOXUFLSTSA-N. The full InChI is InChI=1S/C34H32N4O6/c1-4-20-22-13-19(39)10-11-27(22)36-30-23(20)16-38-29(30)14-25-24(31(38)40)17-43-33(42)34(25,5-2)44-32(41)26(35)12-18-15-37(3)28-9-7-6-8-21(18)28/h6-11,13-15,26,39H,4-5,12,16-17,35H2,1-3H3/t26-,34-/m1/s1.

What are the key properties of [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate?

[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate has a molecular weight of 592.65 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] (2R)-2-amino-3-(1-methylindol-3-yl)propanoate is sourced from PubChem (CID 163967092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).