N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide

C113H128F2N14O24 — CID 161258516

About N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide

N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide (PubChem CID 161258516) has the molecular formula C113H128F2N14O24 and a molecular weight of 2104.34 g/mol. Its IUPAC name is N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide.

Molecular Properties

• Compound Name: N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide
• PubChem CID: 161258516
• Molecular Formula: C113H128F2N14O24
• Molecular Weight: 2104.34 g/mol
• Exact Mass: 2102.92
• IUPAC Name: N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNCCCC(=O)CNC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccccc1)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNCCCC(=O)CNC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCCCCN1C(=O)CC(C)C1=O)Cc1ccccc1)CC3
• InChI: InChI=1S/C57H66FN7O12.C56H62FN7O12/c1-4-57(76)42-25-46-52-40(30-65(46)55(74)41(42)31-77-56(57)75)51-44(18-17-39-33(3)43(58)26-45(63-52)50(39)51)62-48(70)29-59-20-11-15-37(67)27-61-53(72)35(23-34-12-7-5-8-13-34)24-38(68)28-60-47(69)19-16-36(66)14-9-6-10-21-64-49(71)22-32(2)54(64)73;1-3-56(75)41-25-45-52-39(30-64(45)54(73)40(41)31-76-55(56)74)51-43(17-16-38-32(2)42(57)26-44(62-52)50(38)51)61-47(69)29-58-21-10-14-36(66)27-60-53(72)34(23-33-11-6-4-7-12-33)24-37(67)28-59-46(68)18-15-35(65)13-8-5-9-22-63-48(70)19-20-49(63)71/h5,7-8,12-13,25-26,32,35,44,59,76H,4,6,9-11,14-24,27-31H2,1-3H3,(H,60,69)(H,61,72)(H,62,70);4,6-7,11-12,19-20,25-26,34,43,58,75H,3,5,8-10,13-18,21-24,27-31H2,1-2H3,(H,59,68)(H,60,72)(H,61,69)/t32?,35-,44+,57+;34-,43+,56+/m11/s1
• InChIKey: VCGBLZGEIBHWML-HNMSCCLLSA-N
• XLogP: 7.38
• TPSA: 538.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 52
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.34
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide?

The IUPAC name of N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide (CID 161258516) is N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide.

What is the SMILES notation for N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide?

The canonical SMILES for N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNCCCC(=O)CNC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccccc1)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNCCCC(=O)CNC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCCCCN1C(=O)CC(C)C1=O)Cc1ccccc1)CC3.

What is the InChIKey of N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide?

The InChIKey is VCGBLZGEIBHWML-HNMSCCLLSA-N. The full InChI is InChI=1S/C57H66FN7O12.C56H62FN7O12/c1-4-57(76)42-25-46-52-40(30-65(46)55(74)41(42)31-77-56(57)75)51-44(18-17-39-33(3)43(58)26-45(63-52)50(39)51)62-48(70)29-59-20-11-15-37(67)27-61-53(72)35(23-34-12-7-5-8-13-34)24-38(68)28-60-47(69)19-16-36(66)14-9-6-10-21-64-49(71)22-32(2)54(64)73;1-3-56(75)41-25-45-52-39(30-64(45)54(73)40(41)31-76-55(56)74)51-43(17-16-38-32(2)42(57)26-44(62-52)50(38)51)61-47(69)29-58-21-10-14-36(66)27-60-53(72)34(23-33-11-6-4-7-12-33)24-37(67)28-59-46(68)18-15-35(65)13-8-5-9-22-63-48(70)19-20-49(63)71/h5,7-8,12-13,25-26,32,35,44,59,76H,4,6,9-11,14-24,27-31H2,1-3H3,(H,60,69)(H,61,72)(H,62,70);4,6-7,11-12,19-20,25-26,34,43,58,75H,3,5,8-10,13-18,21-24,27-31H2,1-2H3,(H,59,68)(H,60,72)(H,61,69)/t32?,35-,44+,57+;34-,43+,56+/m11/s1.

What are the key properties of N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide?

N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide has a molecular weight of 2104.34 g/mol, XLogP of 7.38, 52 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide;N-[(4R)-4-benzyl-5-[[5-[[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]amino]-2-oxopentyl]amino]-2,5-dioxopentyl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxononanamide is sourced from PubChem (CID 161258516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).