(2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid

C144H200N28O54S — CID 163426554

About (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid

(2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid (PubChem CID 163426554) has the molecular formula C144H200N28O54S and a molecular weight of 3219.39 g/mol. Its IUPAC name is (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• PubChem CID: 163426554
• Molecular Formula: C144H200N28O54S
• Molecular Weight: 3219.39 g/mol
• Exact Mass: 3217.35
• IUPAC Name: (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• SMILES: C=C1C[C@@H](C2OCCN2C(=O)OCc2ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN3C(=O)CC(SC[C@@H](NC(=O)[C@H](CCC(=O)NCC[C@@H](O)C[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(CCC(=O)NCC[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@@H](O)[C@@H](O)C[C@H](O)CO)NC(=O)CC[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)C(=O)O)C3=O)C(C)C)cc2)N(C(=O)c2cc(OC)c(OCCCCCOc3cc(N)c(C(=O)N4CC(=C)C[C@H]4C4OCCN4C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3OC)cc2N)C1
• InChI: InChI=1S/C144H200N28O54S/c1-77(2)122(133(202)154-80(5)126(195)156-85-17-11-81(12-18-85)74-225-143(211)168-43-49-223-138(168)102-57-78(3)69-170(102)135(204)91-61-108(215-6)110(63-93(91)145)221-45-9-8-10-46-222-111-64-94(146)92(62-109(111)216-7)136(205)171-70-79(4)58-103(171)139-169(44-50-224-139)144(212)226-75-82-13-21-87(22-14-82)172(213)214)164-118(188)38-47-217-51-53-219-55-56-220-54-52-218-48-41-150-116(186)37-42-167-119(189)65-112(137(167)206)227-76-101(141(209)210)163-132(201)97(25-29-113(183)148-39-35-88(176)59-89(177)71-173)159-131(200)99(28-34-121(192)193)161-129(198)96(24-30-114(184)149-40-36-104(179)124(194)107(182)73-175)158-130(199)98(27-33-120(190)191)160-128(197)95(23-31-115(185)152-68-106(181)105(180)60-90(178)72-174)157-117(187)32-26-100(140(207)208)162-127(196)83-15-19-84(20-16-83)151-66-86-67-153-125-123(155-86)134(203)166-142(147)165-125/h11-22,61-64,67,77,80,88-90,95-107,112,122,124,138-139,151,173-182,194H,3-4,8-10,23-60,65-66,68-76,145-146H2,1-2,5-7H3,(H,148,183)(H,149,184)(H,150,186)(H,152,185)(H,154,202)(H,156,195)(H,157,187)(H,158,199)(H,159,200)(H,160,197)(H,161,198)(H,162,196)(H,163,201)(H,164,188)(H,190,191)(H,192,193)(H,207,208)(H,209,210)(H3,147,153,165,166,203)/t80-,88+,89-,90-,95-,96?,97-,98+,99+,100-,101+,102-,103-,104+,105-,106+,107+,112?,122-,124-,138?,139?/m0/s1
• InChIKey: ANAHACKZLAQNJY-URLIVQRXSA-N
• XLogP: -4.94
• TPSA: 1213.27 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 58
• Rotatable Bonds: 100
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3219.39
LogP ≤ 5	-4.94
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid (CID 163426554) is (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid is C=C1C[C@@H](C2OCCN2C(=O)OCc2ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCN3C(=O)CC(SC[C@@H](NC(=O)[C@H](CCC(=O)NCC[C@@H](O)C[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(CCC(=O)NCC[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@@H](O)[C@@H](O)C[C@H](O)CO)NC(=O)CC[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)C(=O)O)C3=O)C(C)C)cc2)N(C(=O)c2cc(OC)c(OCCCCCOc3cc(N)c(C(=O)N4CC(=C)C[C@H]4C4OCCN4C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3OC)cc2N)C1.

What is the InChIKey of (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

The InChIKey is ANAHACKZLAQNJY-URLIVQRXSA-N. The full InChI is InChI=1S/C144H200N28O54S/c1-77(2)122(133(202)154-80(5)126(195)156-85-17-11-81(12-18-85)74-225-143(211)168-43-49-223-138(168)102-57-78(3)69-170(102)135(204)91-61-108(215-6)110(63-93(91)145)221-45-9-8-10-46-222-111-64-94(146)92(62-109(111)216-7)136(205)171-70-79(4)58-103(171)139-169(44-50-224-139)144(212)226-75-82-13-21-87(22-14-82)172(213)214)164-118(188)38-47-217-51-53-219-55-56-220-54-52-218-48-41-150-116(186)37-42-167-119(189)65-112(137(167)206)227-76-101(141(209)210)163-132(201)97(25-29-113(183)148-39-35-88(176)59-89(177)71-173)159-131(200)99(28-34-121(192)193)161-129(198)96(24-30-114(184)149-40-36-104(179)124(194)107(182)73-175)158-130(199)98(27-33-120(190)191)160-128(197)95(23-31-115(185)152-68-106(181)105(180)60-90(178)72-174)157-117(187)32-26-100(140(207)208)162-127(196)83-15-19-84(20-16-83)151-66-86-67-153-125-123(155-86)134(203)166-142(147)165-125/h11-22,61-64,67,77,80,88-90,95-107,112,122,124,138-139,151,173-182,194H,3-4,8-10,23-60,65-66,68-76,145-146H2,1-2,5-7H3,(H,148,183)(H,149,184)(H,150,186)(H,152,185)(H,154,202)(H,156,195)(H,157,187)(H,158,199)(H,159,200)(H,160,197)(H,161,198)(H,162,196)(H,163,201)(H,164,188)(H,190,191)(H,192,193)(H,207,208)(H,209,210)(H3,147,153,165,166,203)/t80-,88+,89-,90-,95-,96?,97-,98+,99+,100-,101+,102-,103-,104+,105-,106+,107+,112?,122-,124-,138?,139?/m0/s1.

What are the key properties of (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

(2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid has a molecular weight of 3219.39 g/mol, XLogP of -4.94, 100 rotatable bonds, 34 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-[[(2S)-1-[[(2R)-1-[[1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[4-[[2-[(2S)-1-[2-amino-4-[5-[5-amino-2-methoxy-4-[(2S)-4-methylidene-2-[3-[(4-nitrophenyl)methoxycarbonyl]-1,3-oxazolidin-2-yl]pyrrolidine-1-carbonyl]phenoxy]pentoxy]-5-methoxybenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carbonyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-1,5-dioxo-5-[[(3R,5S)-3,5,6-trihydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(3R,4S,5R)-3,4,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2R,3S,5S)-2,3,5,6-tetrahydroxyhexyl]amino]pentan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 163426554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).