N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C45H51FN8O12 — CID 174291980

About N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 174291980) has the molecular formula C45H51FN8O12 and a molecular weight of 914.94 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
• PubChem CID: 174291980
• Molecular Formula: C45H51FN8O12
• Molecular Weight: 914.94 g/mol
• Exact Mass: 914.36
• IUPAC Name: N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CC1(COCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCN2C(=O)CC(C)C2=O)CC1)CC3
• InChI: InChI=1S/C45H51FN8O12/c1-4-45(64)27-12-31-40-25(18-54(31)42(62)26(27)19-66-43(45)63)39-29(6-5-24-23(3)28(46)13-30(52-40)38(24)39)51-33(56)14-44(8-9-44)20-65-21-50-36(59)17-49-35(58)16-48-34(57)15-47-32(55)7-10-53-37(60)11-22(2)41(53)61/h12-13,22,29,64H,4-11,14-21H2,1-3H3,(H,47,55)(H,48,57)(H,49,58)(H,50,59)(H,51,56)/t22?,29-,45-/m0/s1
• InChIKey: QDFXKVUYHISSOQ-FBADGYJSSA-N
• XLogP: 0.02
• TPSA: 273.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.94
LogP ≤ 5	0.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?

The IUPAC name of N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 174291980) is N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

What is the SMILES notation for N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?

The canonical SMILES for N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CC1(COCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCN2C(=O)CC(C)C2=O)CC1)CC3.

What is the InChIKey of N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?

The InChIKey is QDFXKVUYHISSOQ-FBADGYJSSA-N. The full InChI is InChI=1S/C45H51FN8O12/c1-4-45(64)27-12-31-40-25(18-54(31)42(62)26(27)19-66-43(45)63)39-29(6-5-24-23(3)28(46)13-30(52-40)38(24)39)51-33(56)14-44(8-9-44)20-65-21-50-36(59)17-49-35(58)16-48-34(57)15-47-32(55)7-10-53-37(60)11-22(2)41(53)61/h12-13,22,29,64H,4-11,14-21H2,1-3H3,(H,47,55)(H,48,57)(H,49,58)(H,50,59)(H,51,56)/t22?,29-,45-/m0/s1.

What are the key properties of N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?

N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 914.94 g/mol, XLogP of 0.02, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[[1-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]cyclopropyl]methoxymethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 174291980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).