acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate

C126H179N15O41 — CID 162218925

About acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate

acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate (PubChem CID 162218925) has the molecular formula C126H179N15O41 and a molecular weight of 2559.88 g/mol. Its IUPAC name is acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate.

Molecular Properties

• Compound Name: acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate
• PubChem CID: 162218925
• Molecular Formula: C126H179N15O41
• Molecular Weight: 2559.88 g/mol
• Exact Mass: 2558.24
• IUPAC Name: acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate
• SMILES: CC(=O)O.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)CNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](N)C(C)C)cc3)C[C@@]3(CO3)[C@@H]2O)O[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)CNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCCCCC(=O)ON4C(=O)CCC4=O)C(C)C)cc3)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.O=C(CCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C60H85N7O18.C49H72N6O13.C15H18N2O8.C2H4O2/c1-35(2)55(66-50(71)13-9-8-10-14-54(75)85-67-52(73)25-26-53(67)74)47(70)29-42(12-11-27-62-58(61)78)57(77)64-43-20-18-41(19-21-43)33-80-59(79)63-32-44(69)30-45-31-60(34-81-60)56(76)49(84-45)23-16-36(3)15-22-48-37(4)28-46(39(6)83-48)65-51(72)24-17-38(5)82-40(7)68;1-28(2)44(50)40(58)22-35(9-8-20-52-47(51)62)46(61)54-36-15-13-34(14-16-36)26-64-48(63)53-25-37(57)23-38-24-49(27-65-49)45(60)42(68-38)18-11-29(3)10-17-41-30(4)21-39(32(6)67-41)55-43(59)19-12-31(5)66-33(7)56;18-10-6-7-11(19)16(10)24-14(22)4-2-1-3-5-15(23)25-17-12(20)8-9-13(17)21;1-2(3)4/h15-21,23-24,35,37-39,42,45-46,48-49,55-56,76H,8-14,22,25-34H2,1-7H3,(H,63,79)(H,64,77)(H,65,72)(H,66,71)(H3,61,62,78);10-16,18-19,28,30-32,35,38-39,41-42,44-45,60H,8-9,17,20-27,50H2,1-7H3,(H,53,63)(H,54,61)(H,55,59)(H3,51,52,62);1-9H2;1H3,(H,3,4)/b23-16+,24-17-,36-15+;18-11+,19-12-,29-10+;;/t37-,38-,39+,42+,45+,46+,48-,49+,55-,56+,60+;30-,31-,32+,35+,38+,39+,41-,42+,44-,45+,49+;;/m00../s1
• InChIKey: VQKNPWYIFMMADY-HIBGRKQSSA-N
• XLogP: 8.56
• TPSA: 810.08 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 64
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.88
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

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 acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate?

The IUPAC name of acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate (CID 162218925) is acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate.

What is the SMILES notation for acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate?

The canonical SMILES for acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate is CC(=O)O.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)CNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](N)C(C)C)cc3)C[C@@]3(CO3)[C@@H]2O)O[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)CNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCCCCC(=O)ON4C(=O)CCC4=O)C(C)C)cc3)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C.O=C(CCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.

What is the InChIKey of acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate?

The InChIKey is VQKNPWYIFMMADY-HIBGRKQSSA-N. The full InChI is InChI=1S/C60H85N7O18.C49H72N6O13.C15H18N2O8.C2H4O2/c1-35(2)55(66-50(71)13-9-8-10-14-54(75)85-67-52(73)25-26-53(67)74)47(70)29-42(12-11-27-62-58(61)78)57(77)64-43-20-18-41(19-21-43)33-80-59(79)63-32-44(69)30-45-31-60(34-81-60)56(76)49(84-45)23-16-36(3)15-22-48-37(4)28-46(39(6)83-48)65-51(72)24-17-38(5)82-40(7)68;1-28(2)44(50)40(58)22-35(9-8-20-52-47(51)62)46(61)54-36-15-13-34(14-16-36)26-64-48(63)53-25-37(57)23-38-24-49(27-65-49)45(60)42(68-38)18-11-29(3)10-17-41-30(4)21-39(32(6)67-41)55-43(59)19-12-31(5)66-33(7)56;18-10-6-7-11(19)16(10)24-14(22)4-2-1-3-5-15(23)25-17-12(20)8-9-13(17)21;1-2(3)4/h15-21,23-24,35,37-39,42,45-46,48-49,55-56,76H,8-14,22,25-34H2,1-7H3,(H,63,79)(H,64,77)(H,65,72)(H,66,71)(H3,61,62,78);10-16,18-19,28,30-32,35,38-39,41-42,44-45,60H,8-9,17,20-27,50H2,1-7H3,(H,53,63)(H,54,61)(H,55,59)(H3,51,52,62);1-9H2;1H3,(H,3,4)/b23-16+,24-17-,36-15+;18-11+,19-12-,29-10+;;/t37-,38-,39+,42+,45+,46+,48-,49+,55-,56+,60+;30-,31-,32+,35+,38+,39+,41-,42+,44-,45+,49+;;/m00../s1.

What are the key properties of acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate?

acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate has a molecular weight of 2559.88 g/mol, XLogP of 8.56, 64 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-5-amino-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;bis(2,5-dioxopyrrolidin-1-yl) heptanedioate;(2,5-dioxopyrrolidin-1-yl) 7-[[(3S,6R)-6-[[4-[[3-[(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]-2-oxopropyl]carbamoyloxymethyl]phenyl]carbamoyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-7-oxoheptanoate is sourced from PubChem (CID 162218925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).