(2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid

C126H183ClN18O31S2 — CID 162124188

About (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid

(2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid (PubChem CID 162124188) has the molecular formula C126H183ClN18O31S2 and a molecular weight of 2545.53 g/mol. Its IUPAC name is (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid.

Molecular Properties

• Compound Name: (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid
• PubChem CID: 162124188
• Molecular Formula: C126H183ClN18O31S2
• Molecular Weight: 2545.53 g/mol
• Exact Mass: 2543.24
• IUPAC Name: (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid
• SMILES: COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CCCCCN3C(=O)CC(SCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](CCN)C(=O)N4CCC[C@H]4C(=O)CC(Cc4ccc(O)cc4)C(=O)N[C@H](C(=O)CC(CC(C)C)C(=O)O)C(C)(C)C)C3=O)C1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2
• InChI: InChI=1S/C126H183ClN18O31S2/c1-73(2)57-84(121(167)168)66-95(150)111(124(9,10)11)138-113(159)83(60-80-40-42-85(147)43-41-80)65-94(149)90-36-28-52-142(90)117(163)82(44-48-129)64-93(148)86(34-22-24-47-128)136-116(162)91-37-29-53-143(91)118(164)87(134-78(8)146)35-23-25-49-130-103(152)45-55-177-98-67-108(157)144(119(98)165)51-26-18-21-39-102(151)132-72-105(154)135-89(61-79-32-19-17-20-33-79)115(161)137-88(58-74(3)4)114(160)133-71-104(153)131-50-30-54-145-109(158)68-99(120(145)166)178-56-46-106(155)140(13)77(7)122(169)175-101-69-107(156)141(14)92-62-81(63-96(172-15)110(92)127)59-75(5)31-27-38-100(173-16)126(171)70-97(174-123(170)139-126)76(6)112-125(101,12)176-112/h17,19-20,27,31-33,38,40-43,62-63,73-74,76-77,82-84,86-91,97-101,111-112,147,171H,18,21-26,28-30,34-37,39,44-61,64-72,128-129H2,1-16H3,(H,130,152)(H,131,153)(H,132,151)(H,133,160)(H,134,146)(H,135,154)(H,136,162)(H,137,161)(H,138,159)(H,139,170)(H,167,168)/b38-27+,75-31+/t76-,77+,82-,83?,84?,86+,87+,88+,89+,90+,91+,97+,98?,99?,100-,101+,111-,112+,125+,126+/m1/s1
• InChIKey: YHNYTJVBDOUTPV-QOTDSLIMSA-N
• XLogP: 6.65
• TPSA: 694.53 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 67
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2545.53
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid?

The IUPAC name of (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid (CID 162124188) is (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid.

What is the SMILES notation for (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid?

The canonical SMILES for (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid is COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CCCCCN3C(=O)CC(SCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](CCN)C(=O)N4CCC[C@H]4C(=O)CC(Cc4ccc(O)cc4)C(=O)N[C@H](C(=O)CC(CC(C)C)C(=O)O)C(C)(C)C)C3=O)C1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2.

What is the InChIKey of (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid?

The InChIKey is YHNYTJVBDOUTPV-QOTDSLIMSA-N. The full InChI is InChI=1S/C126H183ClN18O31S2/c1-73(2)57-84(121(167)168)66-95(150)111(124(9,10)11)138-113(159)83(60-80-40-42-85(147)43-41-80)65-94(149)90-36-28-52-142(90)117(163)82(44-48-129)64-93(148)86(34-22-24-47-128)136-116(162)91-37-29-53-143(91)118(164)87(134-78(8)146)35-23-25-49-130-103(152)45-55-177-98-67-108(157)144(119(98)165)51-26-18-21-39-102(151)132-72-105(154)135-89(61-79-32-19-17-20-33-79)115(161)137-88(58-74(3)4)114(160)133-71-104(153)131-50-30-54-145-109(158)68-99(120(145)166)178-56-46-106(155)140(13)77(7)122(169)175-101-69-107(156)141(14)92-62-81(63-96(172-15)110(92)127)59-75(5)31-27-38-100(173-16)126(171)70-97(174-123(170)139-126)76(6)112-125(101,12)176-112/h17,19-20,27,31-33,38,40-43,62-63,73-74,76-77,82-84,86-91,97-101,111-112,147,171H,18,21-26,28-30,34-37,39,44-61,64-72,128-129H2,1-16H3,(H,130,152)(H,131,153)(H,132,151)(H,133,160)(H,134,146)(H,135,154)(H,136,162)(H,137,161)(H,138,159)(H,139,170)(H,167,168)/b38-27+,75-31+/t76-,77+,82-,83?,84?,86+,87+,88+,89+,90+,91+,97+,98?,99?,100-,101+,111-,112+,125+,126+/m1/s1.

What are the key properties of (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid?

(2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid has a molecular weight of 2545.53 g/mol, XLogP of 6.65, 67 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[[(2R)-4-[(2S)-1-[(2R,5S)-5-[[(2S)-1-[(2S)-2-acetamido-6-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[3-[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-9-amino-2-(2-aminoethyl)-4-oxononanoyl]pyrrolidin-2-yl]-2-[(4-hydroxyphenyl)methyl]-4-oxobutanoyl]amino]-6,6-dimethyl-2-(2-methylpropyl)-4-oxoheptanoic acid is sourced from PubChem (CID 162124188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).