(2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C132H163N29O36S — CID 172934940

About (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 172934940) has the molecular formula C132H163N29O36S and a molecular weight of 2763.99 g/mol. Its IUPAC name is (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 172934940
• Molecular Formula: C132H163N29O36S
• Molecular Weight: 2763.99 g/mol
• Exact Mass: 2762.15
• IUPAC Name: (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• SMILES: C=C1C[C@@H](C2OCCN2C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=C(SC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(/C(C)=N/NC(=O)CCCCCN4C(=O)C=CC4=O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)nc(O)c5n4)cc3)C(=O)O)C(=O)O)C2=O)C(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3ccc(-c4nc5ccc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)cc5[nH]4)cc3)cc2N)C1
• InChI: InChI=1S/C132H163N29O36S/c1-74(2)114(100(162)63-82(14-13-40-137-132(135)189)125(182)160-48-53-197-128(160)99-60-75(3)72-161(99)126(183)87-65-101(190-6)102(66-88(87)133)196-50-12-8-11-49-195-86-28-22-79(23-29-86)116-142-89-30-24-81(62-93(89)144-116)117-143-90-31-27-85(64-94(90)145-117)157-46-44-156(5)45-47-157)151-106(165)39-51-191-54-56-193-58-59-194-57-55-192-52-41-136-104(163)38-43-159-110(169)69-103(127(159)184)198-73-98(130(187)188)150-123(180)97(68-113(174)175)149-121(178)95(61-77-16-18-78(19-17-77)76(4)154-155-107(166)15-9-7-10-42-158-108(167)35-36-109(158)168)148-120(177)91(33-37-111(170)171)146-122(179)96(67-112(172)173)141-105(164)34-32-92(129(185)186)147-119(176)80-20-25-83(26-21-80)138-70-84-71-139-118-115(140-84)124(181)153-131(134)152-118/h16-31,35-36,62,64-66,69,71,74,82,91-92,95-99,114,128,138H,3,7-15,32-34,37-61,63,67-68,70,72-73,133H2,1-2,4-6H3,(H,136,163)(H,141,164)(H,142,144)(H,143,145)(H,146,179)(H,147,176)(H,148,177)(H,149,178)(H,150,180)(H,151,165)(H,155,166)(H,170,171)(H,172,173)(H,174,175)(H,185,186)(H,187,188)(H3,135,137,189)(H3,134,139,152,153,181)/b154-76+/t82-,91+,92+,95+,96+,97+,98+,99+,114+,128?/m1/s1
• InChIKey: GOFKZZAPBMCAPD-DDVRMDFNSA-N
• XLogP: 4.00
• TPSA: 921.87 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 44
• Rotatable Bonds: 81
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2763.99
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CID 172934940) is (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is C=C1C[C@@H](C2OCCN2C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=C(SC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(/C(C)=N/NC(=O)CCCCCN4C(=O)C=CC4=O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)nc(O)c5n4)cc3)C(=O)O)C(=O)O)C2=O)C(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3ccc(-c4nc5ccc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)cc5[nH]4)cc3)cc2N)C1.

What is the InChIKey of (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is GOFKZZAPBMCAPD-DDVRMDFNSA-N. The full InChI is InChI=1S/C132H163N29O36S/c1-74(2)114(100(162)63-82(14-13-40-137-132(135)189)125(182)160-48-53-197-128(160)99-60-75(3)72-161(99)126(183)87-65-101(190-6)102(66-88(87)133)196-50-12-8-11-49-195-86-28-22-79(23-29-86)116-142-89-30-24-81(62-93(89)144-116)117-143-90-31-27-85(64-94(90)145-117)157-46-44-156(5)45-47-157)151-106(165)39-51-191-54-56-193-58-59-194-57-55-192-52-41-136-104(163)38-43-159-110(169)69-103(127(159)184)198-73-98(130(187)188)150-123(180)97(68-113(174)175)149-121(178)95(61-77-16-18-78(19-17-77)76(4)154-155-107(166)15-9-7-10-42-158-108(167)35-36-109(158)168)148-120(177)91(33-37-111(170)171)146-122(179)96(67-112(172)173)141-105(164)34-32-92(129(185)186)147-119(176)80-20-25-83(26-21-80)138-70-84-71-139-118-115(140-84)124(181)153-131(134)152-118/h16-31,35-36,62,64-66,69,71,74,82,91-92,95-99,114,128,138H,3,7-15,32-34,37-61,63,67-68,70,72-73,133H2,1-2,4-6H3,(H,136,163)(H,141,164)(H,142,144)(H,143,145)(H,146,179)(H,147,176)(H,148,177)(H,149,178)(H,150,180)(H,151,165)(H,155,166)(H,170,171)(H,172,173)(H,174,175)(H,185,186)(H,187,188)(H3,135,137,189)(H3,134,139,152,153,181)/b154-76+/t82-,91+,92+,95+,96+,97+,98+,99+,114+,128?/m1/s1.

What are the key properties of (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?

(2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 2763.99 g/mol, XLogP of 4.00, 81 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[[(3S,6R)-6-[2-[(2S)-1-[2-amino-5-methoxy-4-[5-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentoxy]benzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrol-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[4-[(E)-N-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-C-methylcarbonimidoyl]phenyl]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 172934940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).