4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid

C97H154N34O36S2 — CID 175647753

About 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid

4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid (PubChem CID 175647753) has the molecular formula C97H154N34O36S2 and a molecular weight of 2436.63 g/mol. Its IUPAC name is 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid.

Molecular Properties

• Compound Name: 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid
• PubChem CID: 175647753
• Molecular Formula: C97H154N34O36S2
• Molecular Weight: 2436.63 g/mol
• Exact Mass: 2435.07
• IUPAC Name: 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid
• SMILES: [H]/N=C(\O)CC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCSC)/N=C(\O)[C@@H](N=C(O)[C@@H](/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)C(Cc1cnc[nH]1)/N=C(\O)C(CC(=O)O)/N=C(\O)C(CCCN/C(N)=N/[H])/N=C(\O)C(CCC(=O)O)/N=C(\O)C(CC(C)C)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)C(CO)/N=C(\O)C(CCSC)/N=C(\O)[C@@H](N)CC(=O)O)C(C)C)OC)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](C/C(O)=N/[H])C(=O)O
• InChI: InChI=1S/C97H154N34O36S2/c1-43(2)29-55(119-83(154)60(36-72(143)144)123-86(157)62(39-132)127-87(158)63(40-133)126-79(150)52(21-27-168-7)113-75(146)48(98)32-70(139)140)81(152)115-51(18-20-69(137)138)77(148)114-49(13-9-23-108-96(102)103)76(147)122-59(35-71(141)142)84(155)120-56(30-46-37-106-41-110-46)82(153)117-53(14-10-24-109-97(104)105)93(163)130-25-12-16-65(130)89(160)124-57(31-47-38-107-42-111-47)85(156)128-73(44(3)4)90(161)129-92(167-6)91(162)118-54(22-28-169-8)94(164)131-26-11-15-64(131)88(159)116-50(17-19-66(99)134)78(149)121-58(33-67(100)135)80(151)112-45(5)74(145)125-61(95(165)166)34-68(101)136/h37-38,41-45,48-65,73,92,132-133H,9-36,39-40,98H2,1-8H3,(H2,99,134)(H2,100,135)(H2,101,136)(H,106,110)(H,107,111)(H,112,151)(H,113,146)(H,114,148)(H,115,152)(H,116,159)(H,117,153)(H,118,162)(H,119,154)(H,120,155)(H,121,149)(H,122,147)(H,123,157)(H,124,160)(H,125,145)(H,126,150)(H,127,158)(H,128,156)(H,129,161)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,165,166)(H4,102,103,108)(H4,104,105,109)/t45-,48-,49?,50-,51?,52?,53-,54-,55?,56?,57-,58-,59?,60-,61-,62-,63?,64-,65-,73-,92-/m0/s1
• InChIKey: BOARIOLZPFSAQJ-NQSKQZERSA-N
• XLogP: 2.96
• TPSA: 1202.85 Ų
• H-Bond Donors: 40
• H-Bond Acceptors: 38
• Rotatable Bonds: 79
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.63
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	40
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'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 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid?

The IUPAC name of 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid (CID 175647753) is 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid.

What is the SMILES notation for 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid?

The canonical SMILES for 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid is [H]/N=C(\O)CC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCSC)/N=C(\O)[C@@H](N=C(O)[C@@H](/N=C(\O)[C@H](Cc1cnc[nH]1)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N/[H])/N=C(\O)C(Cc1cnc[nH]1)/N=C(\O)C(CC(=O)O)/N=C(\O)C(CCCN/C(N)=N/[H])/N=C(\O)C(CCC(=O)O)/N=C(\O)C(CC(C)C)/N=C(\O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)C(CO)/N=C(\O)C(CCSC)/N=C(\O)[C@@H](N)CC(=O)O)C(C)C)OC)/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](C)/C(O)=N/[C@@H](C/C(O)=N/[H])C(=O)O.

What is the InChIKey of 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid?

The InChIKey is BOARIOLZPFSAQJ-NQSKQZERSA-N. The full InChI is InChI=1S/C97H154N34O36S2/c1-43(2)29-55(119-83(154)60(36-72(143)144)123-86(157)62(39-132)127-87(158)63(40-133)126-79(150)52(21-27-168-7)113-75(146)48(98)32-70(139)140)81(152)115-51(18-20-69(137)138)77(148)114-49(13-9-23-108-96(102)103)76(147)122-59(35-71(141)142)84(155)120-56(30-46-37-106-41-110-46)82(153)117-53(14-10-24-109-97(104)105)93(163)130-25-12-16-65(130)89(160)124-57(31-47-38-107-42-111-47)85(156)128-73(44(3)4)90(161)129-92(167-6)91(162)118-54(22-28-169-8)94(164)131-26-11-15-64(131)88(159)116-50(17-19-66(99)134)78(149)121-58(33-67(100)135)80(151)112-45(5)74(145)125-61(95(165)166)34-68(101)136/h37-38,41-45,48-65,73,92,132-133H,9-36,39-40,98H2,1-8H3,(H2,99,134)(H2,100,135)(H2,101,136)(H,106,110)(H,107,111)(H,112,151)(H,113,146)(H,114,148)(H,115,152)(H,116,159)(H,117,153)(H,118,162)(H,119,154)(H,120,155)(H,121,149)(H,122,147)(H,123,157)(H,124,160)(H,125,145)(H,126,150)(H,127,158)(H,128,156)(H,129,161)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,165,166)(H4,102,103,108)(H4,104,105,109)/t45-,48-,49?,50-,51?,52?,53-,54-,55?,56?,57-,58-,59?,60-,61-,62-,63?,64-,65-,73-,92-/m0/s1.

What are the key properties of 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid?

4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid has a molecular weight of 2436.63 g/mol, XLogP of 2.96, 79 rotatable bonds, 40 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-[5-carbamimidamido-1-[1-[1-[(2S)-5-carbamimidamido-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(1S)-2-[(2S)-1-[(2S)-2-[N-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxypropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]imino-2-hydroxy-1-methoxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-5-hydroxypentanoic acid is sourced from PubChem (CID 175647753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).