phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate

C65H56N8O12 — CID 171107711

About phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate

phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate (PubChem CID 171107711) has the molecular formula C65H56N8O12 and a molecular weight of 1141.21 g/mol. Its IUPAC name is phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate
• PubChem CID: 171107711
• Molecular Formula: C65H56N8O12
• Molecular Weight: 1141.21 g/mol
• Exact Mass: 1140.40
• IUPAC Name: phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate
• SMILES: COC(=O)N(C)C1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccc(-c7ccc8c9c%10c(c%11c%12ccccc%12n%12c%11c9n(c8c7)C7(C)OC%12CC(N(C)C(=O)Oc8ccccc8)C7OC)C(=O)NC%10O)cc6n2c5c31)C(=O)NC4O
• InChI: InChI=1S/C65H56N8O12/c1-64-56(80-5)40(68(3)62(78)82-7)27-43(85-64)71-38-25-29(21-23-34(38)45-49-50(60(76)67-59(49)75)46-33-18-12-14-20-37(33)72(64)54(46)53(45)71)30-22-24-35-39(26-30)73-55-47(35)51-48(58(74)66-61(51)77)44-32-17-11-13-19-36(32)70(52(44)55)42-28-41(57(81-6)65(73,2)84-42)69(4)63(79)83-31-15-9-8-10-16-31/h8-26,40-43,56-57,60-61,76-77H,27-28H2,1-7H3,(H,66,74)(H,67,75)
• InChIKey: HPNYJJWRCUMWLV-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 214.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.21
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate?

The IUPAC name of phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate (CID 171107711) is phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate.

What is the SMILES notation for phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate?

The canonical SMILES for phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate is COC(=O)N(C)C1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccc(-c7ccc8c9c%10c(c%11c%12ccccc%12n%12c%11c9n(c8c7)C7(C)OC%12CC(N(C)C(=O)Oc8ccccc8)C7OC)C(=O)NC%10O)cc6n2c5c31)C(=O)NC4O.

What is the InChIKey of phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate?

The InChIKey is HPNYJJWRCUMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N8O12/c1-64-56(80-5)40(68(3)62(78)82-7)27-43(85-64)71-38-25-29(21-23-34(38)45-49-50(60(76)67-59(49)75)46-33-18-12-14-20-37(33)72(64)54(46)53(45)71)30-22-24-35-39(26-30)73-55-47(35)51-48(58(74)66-61(51)77)44-32-17-11-13-19-36(32)70(52(44)55)42-28-41(57(81-6)65(73,2)84-42)69(4)63(79)83-31-15-9-8-10-16-31/h8-26,40-43,56-57,60-61,76-77H,27-28H2,1-7H3,(H,66,74)(H,67,75).

What are the key properties of phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate?

phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate has a molecular weight of 1141.21 g/mol, XLogP of 10.06, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl N-[18-hydroxy-24-[18-hydroxy-3-methoxy-4-[methoxycarbonyl(methyl)amino]-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21,23,25,27-nonaen-10-yl]-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-4-yl]-N-methylcarbamate is sourced from PubChem (CID 171107711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).