(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate

C146H182N12O31 — CID 158414045

About (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate

(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate (PubChem CID 158414045) has the molecular formula C146H182N12O31 and a molecular weight of 2601.11 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
• PubChem CID: 158414045
• Molecular Formula: C146H182N12O31
• Molecular Weight: 2601.11 g/mol
• Exact Mass: 2599.30
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
• SMILES: CC(/C=C/[C@H]1O[C@H](CC(=O)CCc2ccc(NC(=O)OCc3ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)cc3)cc2)C[C@@]2(CO2)[C@@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(C)[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)Nc2ccc(CN)cc2)cc1
• InChI: InChI=1S/C71H89N5O13.C43H49N5O7.C32H44N2O11/c1-43(2)18-33-65(79)75-61-35-46(6)63(88-47(61)7)31-19-45(5)20-32-64-67(81)71(42-87-71)39-53(89-64)37-52(77)30-27-48-25-28-51(29-26-48)74-70(84)86-40-50-23-21-49(22-24-50)36-62(78)60(17-12-34-73-69(72)83)76-68(82)58(44(3)4)38-66(80)85-41-59-56-15-10-8-13-54(56)55-14-9-11-16-57(55)59;1-27(2)36(23-40(50)54-26-37-34-10-5-3-8-32(34)33-9-4-6-11-35(33)37)41(51)48-38(12-7-21-46-42(45)52)39(49)22-28-13-15-30(16-14-28)25-55-43(53)47-31-19-17-29(24-44)18-20-31;1-18(6-9-25-19(2)14-24(21(4)43-25)33-27(36)11-8-20(3)42-22(5)35)7-10-26-31(40)32(17-41-32)16-23(44-26)15-30(39)45-34-28(37)12-13-29(34)38/h8-11,13-16,18-26,28-29,32-33,43-44,46-47,53,58-61,63-64,67,81H,12,17,27,30-31,34-42H2,1-7H3,(H,74,84)(H,75,79)(H,76,82)(H3,72,73,83);3-6,8-11,13-20,27,36-38H,7,12,21-26,44H2,1-2H3,(H,47,53)(H,48,51)(H3,45,46,52);6-8,10-11,19-21,23-26,31,40H,9,12-17H2,1-5H3,(H,33,36)/b32-20+,33-18-,45-19+;;10-7+,11-8-,18-6+/t46-,47+,53+,58+,60+,61+,63-,64+,67+,71+;36-,38-;19-,20-,21+,23+,24+,25-,26+,31+,32+/m000/s1
• InChIKey: GZQWFRFLHALVHR-WVTRHBSFSA-N
• XLogP: 18.01
• TPSA: 625.55 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 58
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2601.11
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate (CID 158414045) is (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate is CC(/C=C/[C@H]1O[C@H](CC(=O)CCc2ccc(NC(=O)OCc3ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)cc3)cc2)C[C@@]2(CO2)[C@@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C.CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)ON3C(=O)CCC3=O)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.CC(C)[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)Nc2ccc(CN)cc2)cc1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The InChIKey is GZQWFRFLHALVHR-WVTRHBSFSA-N. The full InChI is InChI=1S/C71H89N5O13.C43H49N5O7.C32H44N2O11/c1-43(2)18-33-65(79)75-61-35-46(6)63(88-47(61)7)31-19-45(5)20-32-64-67(81)71(42-87-71)39-53(89-64)37-52(77)30-27-48-25-28-51(29-26-48)74-70(84)86-40-50-23-21-49(22-24-50)36-62(78)60(17-12-34-73-69(72)83)76-68(82)58(44(3)4)38-66(80)85-41-59-56-15-10-8-13-54(56)55-14-9-11-16-57(55)59;1-27(2)36(23-40(50)54-26-37-34-10-5-3-8-32(34)33-9-4-6-11-35(33)37)41(51)48-38(12-7-21-46-42(45)52)39(49)22-28-13-15-30(16-14-28)25-55-43(53)47-31-19-17-29(24-44)18-20-31;1-18(6-9-25-19(2)14-24(21(4)43-25)33-27(36)11-8-20(3)42-22(5)35)7-10-26-31(40)32(17-41-32)16-23(44-26)15-30(39)45-34-28(37)12-13-29(34)38/h8-11,13-16,18-26,28-29,32-33,43-44,46-47,53,58-61,63-64,67,81H,12,17,27,30-31,34-42H2,1-7H3,(H,74,84)(H,75,79)(H,76,82)(H3,72,73,83);3-6,8-11,13-20,27,36-38H,7,12,21-26,44H2,1-2H3,(H,47,53)(H,48,51)(H3,45,46,52);6-8,10-11,19-21,23-26,31,40H,9,12-17H2,1-5H3,(H,33,36)/b32-20+,33-18-,45-19+;;10-7+,11-8-,18-6+/t46-,47+,53+,58+,60+,61+,63-,64+,67+,71+;36-,38-;19-,20-,21+,23+,24+,25-,26+,31+,32+/m000/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

(2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate has a molecular weight of 2601.11 g/mol, XLogP of 18.01, 58 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-1-[4-[[4-(aminomethyl)phenyl]carbamoyloxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-6-(carbamoylamino)-1-[4-[[4-[4-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-3-oxobutyl]phenyl]carbamoyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate is sourced from PubChem (CID 158414045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).