(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide

C176H201F3N22O39 — CID 158561494

About (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide

(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide (PubChem CID 158561494) has the molecular formula C176H201F3N22O39 and a molecular weight of 3305.65 g/mol. Its IUPAC name is (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide.

Molecular Properties

• Compound Name: (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide
• PubChem CID: 158561494
• Molecular Formula: C176H201F3N22O39
• Molecular Weight: 3305.65 g/mol
• Exact Mass: 3303.44
• IUPAC Name: (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CN)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O)CC3.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C58H68FN7O12.C57H64FN7O12.C47H53FN6O9.C14H16N2O6/c1-4-58(77)40-28-45-54-38(31-66(45)56(75)39(40)32-78-57(58)76)53-42(20-19-37-34(3)41(59)29-44(64-54)52(37)53)62-49(71)17-10-6-12-24-60-48(70)23-21-46(68)43(27-35-14-8-5-9-15-35)63-50(72)22-18-36(67)30-61-47(69)16-11-7-13-25-65-51(73)26-33(2)55(65)74;1-3-57(76)39-28-44-54-37(31-65(44)55(74)38(39)32-77-56(57)75)53-41(19-18-36-33(2)40(58)29-43(63-54)52(36)53)61-48(70)16-9-5-11-25-59-47(69)22-20-45(67)42(27-34-13-7-4-8-14-34)62-49(71)21-17-35(66)30-60-46(68)15-10-6-12-26-64-50(72)23-24-51(64)73;1-3-47(62)32-21-37-44-30(24-54(37)45(60)31(32)25-63-46(47)61)43-34(15-14-29-26(2)33(48)22-36(53-44)42(29)43)51-40(58)12-8-5-9-19-50-39(57)18-16-38(56)35(20-27-10-6-4-7-11-27)52-41(59)17-13-28(55)23-49;17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5,8-9,14-15,28-29,33,42-43,77H,4,6-7,10-13,16-27,30-32H2,1-3H3,(H,60,70)(H,61,69)(H,62,71)(H,63,72);4,7-8,13-14,23-24,28-29,41-42,76H,3,5-6,9-12,15-22,25-27,30-32H2,1-2H3,(H,59,69)(H,60,68)(H,61,70)(H,62,71);4,6-7,10-11,21-22,34-35,62H,3,5,8-9,12-20,23-25,49H2,1-2H3,(H,50,57)(H,51,58)(H,52,59);5-6H,1-4,7-9H2/t33?,42-,43-,58-;41-,42-,57-;34-,35-,47-;/m000./s1
• InChIKey: HQYDJEDGXRVKAL-CZJOXSSKSA-N
• XLogP: 12.91
• TPSA: 868.62 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 78
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3305.65
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?

The IUPAC name of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide (CID 158561494) is (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide.

What is the SMILES notation for (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?

The canonical SMILES for (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CN)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O)CC3.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.

What is the InChIKey of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?

The InChIKey is HQYDJEDGXRVKAL-CZJOXSSKSA-N. The full InChI is InChI=1S/C58H68FN7O12.C57H64FN7O12.C47H53FN6O9.C14H16N2O6/c1-4-58(77)40-28-45-54-38(31-66(45)56(75)39(40)32-78-57(58)76)53-42(20-19-37-34(3)41(59)29-44(64-54)52(37)53)62-49(71)17-10-6-12-24-60-48(70)23-21-46(68)43(27-35-14-8-5-9-15-35)63-50(72)22-18-36(67)30-61-47(69)16-11-7-13-25-65-51(73)26-33(2)55(65)74;1-3-57(76)39-28-44-54-37(31-65(44)55(74)38(39)32-77-56(57)75)53-41(19-18-36-33(2)40(58)29-43(63-54)52(36)53)61-48(70)16-9-5-11-25-59-47(69)22-20-45(67)42(27-34-13-7-4-8-14-34)62-49(71)21-17-35(66)30-60-46(68)15-10-6-12-26-64-50(72)23-24-51(64)73;1-3-47(62)32-21-37-44-30(24-54(37)45(60)31(32)25-63-46(47)61)43-34(15-14-29-26(2)33(48)22-36(53-44)42(29)43)51-40(58)12-8-5-9-19-50-39(57)18-16-38(56)35(20-27-10-6-4-7-11-27)52-41(59)17-13-28(55)23-49;17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5,8-9,14-15,28-29,33,42-43,77H,4,6-7,10-13,16-27,30-32H2,1-3H3,(H,60,70)(H,61,69)(H,62,71)(H,63,72);4,7-8,13-14,23-24,28-29,41-42,76H,3,5-6,9-12,15-22,25-27,30-32H2,1-2H3,(H,59,69)(H,60,68)(H,61,70)(H,62,71);4,6-7,10-11,21-22,34-35,62H,3,5,8-9,12-20,23-25,49H2,1-2H3,(H,50,57)(H,51,58)(H,52,59);5-6H,1-4,7-9H2/t33?,42-,43-,58-;41-,42-,57-;34-,35-,47-;/m000./s1.

What are the key properties of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?

(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide has a molecular weight of 3305.65 g/mol, XLogP of 12.91, 78 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(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]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(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]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide is sourced from PubChem (CID 158561494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).