tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate

C159H278N34O45 — CID 58501627

About tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate

tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate (PubChem CID 58501627) has the molecular formula C159H278N34O45 and a molecular weight of 3386.17 g/mol. Its IUPAC name is tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate
• PubChem CID: 58501627
• Molecular Formula: C159H278N34O45
• Molecular Weight: 3386.17 g/mol
• Exact Mass: 3384.05
• IUPAC Name: tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate
• SMILES: C=C(CCCNC(=O)CCC(CCC(=O)CCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(CCC(=O)NCCC/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC(=O)CCC(CCC(=O)NC(CCC(=O)NCCNC(=C)NC(=O)OC(C)(C)C)(CCC(=O)NCCN/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(CCC(=O)NC(CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)CCCCC)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C159H278N34O45/c1-52-53-54-61-115(204)191-157(77-63-105(195)101-156(75-64-107(196)161-86-55-58-102(2)175-124(207)223-140(4,5)6,74-62-104(194)59-56-88-169-118(179-128(211)227-144(16,17)18)180-129(212)228-145(19,20)21)76-65-108(197)162-87-57-60-106(177-126(209)225-142(10,11)12)178-127(210)226-143(13,14)15,84-72-116(205)192-158(78-66-109(198)163-90-89-160-103(3)176-125(208)224-141(7,8)9,79-67-110(199)164-91-96-170-119(181-130(213)229-146(22,23)24)182-131(214)230-147(25,26)27)80-68-111(200)165-92-97-171-120(183-132(215)231-148(28,29)30)184-133(216)232-149(31,32)33)85-73-117(206)193-159(81-69-112(201)166-93-98-172-121(185-134(217)233-150(34,35)36)186-135(218)234-151(37,38)39,82-70-113(202)167-94-99-173-122(187-136(219)235-152(40,41)42)188-137(220)236-153(43,44)45)83-71-114(203)168-95-100-174-123(189-138(221)237-154(46,47)48)190-139(222)238-155(49,50)51/h160H,2-3,52-101H2,1,4-51H3,(H,161,196)(H,162,197)(H,163,198)(H,164,199)(H,165,200)(H,166,201)(H,167,202)(H,168,203)(H,175,207)(H,176,208)(H,191,204)(H,192,205)(H,193,206)(H,177,178,209,210)(H2,169,179,180,211,212)(H2,170,181,182,213,214)(H2,171,183,184,215,216)(H2,172,185,186,217,218)(H2,173,187,188,219,220)(H2,174,189,190,221,222)
• InChIKey: JUTAYVHWECVNSO-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 1054.04 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 46
• Rotatable Bonds: 78
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3386.17
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	27
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate?

The IUPAC name of tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate (CID 58501627) is tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate is C=C(CCCNC(=O)CCC(CCC(=O)CCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(CCC(=O)NCCC/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC(=O)CCC(CCC(=O)NC(CCC(=O)NCCNC(=C)NC(=O)OC(C)(C)C)(CCC(=O)NCCN/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(CCC(=O)NC(CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCC(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)CCCCC)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate?

The InChIKey is JUTAYVHWECVNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C159H278N34O45/c1-52-53-54-61-115(204)191-157(77-63-105(195)101-156(75-64-107(196)161-86-55-58-102(2)175-124(207)223-140(4,5)6,74-62-104(194)59-56-88-169-118(179-128(211)227-144(16,17)18)180-129(212)228-145(19,20)21)76-65-108(197)162-87-57-60-106(177-126(209)225-142(10,11)12)178-127(210)226-143(13,14)15,84-72-116(205)192-158(78-66-109(198)163-90-89-160-103(3)176-125(208)224-141(7,8)9,79-67-110(199)164-91-96-170-119(181-130(213)229-146(22,23)24)182-131(214)230-147(25,26)27)80-68-111(200)165-92-97-171-120(183-132(215)231-148(28,29)30)184-133(216)232-149(31,32)33)85-73-117(206)193-159(81-69-112(201)166-93-98-172-121(185-134(217)233-150(34,35)36)186-135(218)234-151(37,38)39,82-70-113(202)167-94-99-173-122(187-136(219)235-152(40,41)42)188-137(220)236-153(43,44)45)83-71-114(203)168-95-100-174-123(189-138(221)237-154(46,47)48)190-139(222)238-155(49,50)51/h160H,2-3,52-101H2,1,4-51H3,(H,161,196)(H,162,197)(H,163,198)(H,164,199)(H,165,200)(H,166,201)(H,167,202)(H,168,203)(H,175,207)(H,176,208)(H,191,204)(H,192,205)(H,193,206)(H,177,178,209,210)(H2,169,179,180,211,212)(H2,170,181,182,213,214)(H2,171,183,184,215,216)(H2,172,185,186,217,218)(H2,173,187,188,219,220)(H2,174,189,190,221,222).

What are the key properties of tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate?

tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate has a molecular weight of 3386.17 g/mol, XLogP of 19.19, 78 rotatable bonds, 27 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[[9-[3-[[1,7-bis[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-12-[[1-[2-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]ethylamino]-1,7-dioxoheptan-4-yl]amino]-4-[6-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-3-oxohexyl]-9-(hexanoylamino)-4-[3-[[(4Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-3-oxopropyl]-6,12-dioxododecanoyl]amino]pent-1-en-2-yl]carbamate is sourced from PubChem (CID 58501627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).