(2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)

C190H304N24O53 — CID 160881517

About (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)

(2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid) (PubChem CID 160881517) has the molecular formula C190H304N24O53 and a molecular weight of 3772.64 g/mol. Its IUPAC name is (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid).

Molecular Properties

• Compound Name: (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)
• PubChem CID: 160881517
• Molecular Formula: C190H304N24O53
• Molecular Weight: 3772.64 g/mol
• Exact Mass: 3770.18
• IUPAC Name: (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)
• SMILES: CC(=O)CC[C@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)C(=O)O.CC(=O)CC[C@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)C(=O)O.CC(=O)[C@@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)CC(C)C.CCCCC[C@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)C(=O)O
• InChI: InChI=1S/C48H78N6O13.C48H78N6O12.2C47H74N6O14/c1-7-8-9-11-31(48(66)67)23-42(60)38-12-10-19-54(38)45(63)18-15-39(57)30(6)52-47(65)32(20-28(2)3)22-34(55)27-51-46(64)33(21-29(4)5)24-41(59)36(13-16-43(49)61)53-44(62)17-14-40(58)37-25-35(56)26-50-37;1-27(2)18-32(31(8)55)22-43(61)39-10-9-17-54(39)46(64)16-13-40(58)30(7)52-48(66)33(19-28(3)4)21-35(56)26-51-47(65)34(20-29(5)6)23-42(60)37(11-14-44(49)62)53-45(63)15-12-41(59)38-24-36(57)25-50-38;2*1-26(2)18-31(46(65)51-29(6)38(57)13-16-44(63)53-17-7-8-37(53)41(60)21-30(47(66)67)10-9-28(5)54)20-33(55)25-50-45(64)32(19-27(3)4)22-40(59)35(11-14-42(48)61)52-43(62)15-12-39(58)36-23-34(56)24-49-36/h28-33,35-38,50,56H,7-27H2,1-6H3,(H2,49,61)(H,51,64)(H,52,65)(H,53,62)(H,66,67);27-30,32-34,36-39,50,57H,9-26H2,1-8H3,(H2,49,62)(H,51,65)(H,52,66)(H,53,63);2*26-27,29-32,34-37,49,56H,7-25H2,1-6H3,(H2,48,61)(H,50,64)(H,51,65)(H,52,62)(H,66,67)/t30-,31+,32+,33+,35+,36-,37-,38-;30-,32+,33+,34+,36+,37-,38-,39-;2*29-,30+,31+,32+,34+,35-,36-,37-/m0000/s1
• InChIKey: SNCASUFTQOVTFA-VWDNTYBCSA-N
• XLogP: 6.56
• TPSA: 1236.35 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 54
• Rotatable Bonds: 132
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3772.64
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)?

The IUPAC name of (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid) (CID 160881517) is (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid).

What is the SMILES notation for (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)?

The canonical SMILES for (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid) is CC(=O)CC[C@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)C(=O)O.CC(=O)CC[C@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)C(=O)O.CC(=O)[C@@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)CC(C)C.CCCCC[C@H](CC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)[C@@H](CC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@@H]1C[C@@H](O)CN1)CC(C)C)CC(C)C)C(=O)O.

What is the InChIKey of (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)?

The InChIKey is SNCASUFTQOVTFA-VWDNTYBCSA-N. The full InChI is InChI=1S/C48H78N6O13.C48H78N6O12.2C47H74N6O14/c1-7-8-9-11-31(48(66)67)23-42(60)38-12-10-19-54(38)45(63)18-15-39(57)30(6)52-47(65)32(20-28(2)3)22-34(55)27-51-46(64)33(21-29(4)5)24-41(59)36(13-16-43(49)61)53-44(62)17-14-40(58)37-25-35(56)26-50-37;1-27(2)18-32(31(8)55)22-43(61)39-10-9-17-54(39)46(64)16-13-40(58)30(7)52-48(66)33(19-28(3)4)21-35(56)26-51-47(65)34(20-29(5)6)23-42(60)37(11-14-44(49)62)53-45(63)15-12-41(59)38-24-36(57)25-50-38;2*1-26(2)18-31(46(65)51-29(6)38(57)13-16-44(63)53-17-7-8-37(53)41(60)21-30(47(66)67)10-9-28(5)54)20-33(55)25-50-45(64)32(19-27(3)4)22-40(59)35(11-14-42(48)61)52-43(62)15-12-39(58)36-23-34(56)24-49-36/h28-33,35-38,50,56H,7-27H2,1-6H3,(H2,49,61)(H,51,64)(H,52,65)(H,53,62)(H,66,67);27-30,32-34,36-39,50,57H,9-26H2,1-8H3,(H2,49,62)(H,51,65)(H,52,66)(H,53,63);2*26-27,29-32,34-37,49,56H,7-25H2,1-6H3,(H2,48,61)(H,50,64)(H,51,65)(H,52,62)(H,66,67)/t30-,31+,32+,33+,35+,36-,37-,38-;30-,32+,33+,34+,36+,37-,38-,39-;2*29-,30+,31+,32+,34+,35-,36-,37-/m0000/s1.

What are the key properties of (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid)?

(2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid) has a molecular weight of 3772.64 g/mol, XLogP of 6.56, 132 rotatable bonds, 27 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-N-[(4R)-4-[[(2S)-6-[(2S)-2-[(3R)-3-acetyl-5-methylhexanoyl]pyrrolidin-1-yl]-3,6-dioxohexan-2-yl]carbamoyl]-6-methyl-2-oxoheptyl]-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4-oxooctanediamide;(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid;bis((2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-5-[[4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-4-oxobutanoyl]amino]-2-(2-methylpropyl)-4,8-dioxooctanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]-5-oxohexanoic acid) is sourced from PubChem (CID 160881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).