(2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C136H178N20O40 — CID 167598586

About (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 167598586) has the molecular formula C136H178N20O40 and a molecular weight of 2733.02 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 167598586
• Molecular Formula: C136H178N20O40
• Molecular Weight: 2733.02 g/mol
• Exact Mass: 2731.25
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3ccccc3c2CCN(CC(=O)NCc2ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCn3c4c(c5cc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc6ccc(CNC(=O)CN(CCc7c8c(nc9ccccc79)-c7cc9c(c(=O)n7C8)COC(=O)[C@@]9(C)O)C(C)C)cc6O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)C)ccc53)CN(C)N(C)C4)C(C)C)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)C(C)C)[C@]1(C)O
• InChI: InChI=1S/C136H178N20O40/c1-73(2)112(126(172)142-78(10)125(171)147-98-28-25-81(59-104(98)194-133-121(169)117(165)119(167)123(196-133)131(178)179)64-140-111(163)70-153(76(7)8)40-33-84-86-21-17-19-23-96(86)145-115-90(84)67-156-101(115)62-94-92(129(156)175)72-192-134(180)136(94,13)182)148-108(160)35-42-183-46-50-187-54-56-189-52-48-185-44-37-137-105(157)30-31-107(159)143-82-26-29-99-87(60-82)88-65-150(14)151(15)68-102(88)154(99)41-34-106(158)138-38-45-186-49-53-190-57-55-188-51-47-184-43-36-109(161)149-113(74(3)4)127(173)141-77(9)124(170)146-97-27-24-80(58-103(97)193-132-120(168)116(164)118(166)122(195-132)130(176)177)63-139-110(162)69-152(75(5)6)39-32-83-85-20-16-18-22-95(85)144-114-89(83)66-155-100(114)61-93-91(128(155)174)71-191-79(11)135(93,12)181/h16-29,58-62,73-78,112-113,116-123,132-133,164-169,181-182H,11,30-57,63-72H2,1-10,12-15H3,(H,137,157)(H,138,158)(H,139,162)(H,140,163)(H,141,173)(H,142,172)(H,143,159)(H,146,170)(H,147,171)(H,148,160)(H,149,161)(H,176,177)(H,178,179)/t77-,78-,112-,113-,116-,117-,118-,119-,120+,121+,122-,123-,132+,133+,135+,136-/m0/s1
• InChIKey: WCGCPYCPTGKVED-PCWXPFQTSA-N
• XLogP: 1.93
• TPSA: 790.50 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 47
• Rotatable Bonds: 71
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.02
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 167598586) is (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3ccccc3c2CCN(CC(=O)NCc2ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCn3c4c(c5cc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc6ccc(CNC(=O)CN(CCc7c8c(nc9ccccc79)-c7cc9c(c(=O)n7C8)COC(=O)[C@@]9(C)O)C(C)C)cc6O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)C)ccc53)CN(C)N(C)C4)C(C)C)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)C(C)C)[C@]1(C)O.

What is the InChIKey of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is WCGCPYCPTGKVED-PCWXPFQTSA-N. The full InChI is InChI=1S/C136H178N20O40/c1-73(2)112(126(172)142-78(10)125(171)147-98-28-25-81(59-104(98)194-133-121(169)117(165)119(167)123(196-133)131(178)179)64-140-111(163)70-153(76(7)8)40-33-84-86-21-17-19-23-96(86)145-115-90(84)67-156-101(115)62-94-92(129(156)175)72-192-134(180)136(94,13)182)148-108(160)35-42-183-46-50-187-54-56-189-52-48-185-44-37-137-105(157)30-31-107(159)143-82-26-29-99-87(60-82)88-65-150(14)151(15)68-102(88)154(99)41-34-106(158)138-38-45-186-49-53-190-57-55-188-51-47-184-43-36-109(161)149-113(74(3)4)127(173)141-77(9)124(170)146-97-27-24-80(58-103(97)193-132-120(168)116(164)118(166)122(195-132)130(176)177)63-139-110(162)69-152(75(5)6)39-32-83-85-20-16-18-22-95(85)144-114-89(83)66-155-100(114)61-93-91(128(155)174)71-191-79(11)135(93,12)181/h16-29,58-62,73-78,112-113,116-123,132-133,164-169,181-182H,11,30-57,63-72H2,1-10,12-15H3,(H,137,157)(H,138,158)(H,139,162)(H,140,163)(H,141,173)(H,142,172)(H,143,159)(H,146,170)(H,147,171)(H,148,160)(H,149,161)(H,176,177)(H,178,179)/t77-,78-,112-,113-,116-,117-,118-,119-,120+,121+,122-,123-,132+,133+,135+,136-/m0/s1.

What are the key properties of (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 2733.02 g/mol, XLogP of 1.93, 71 rotatable bonds, 21 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6S)-6-[2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-[8-[[4-[2-[2-[2-[2-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[[2-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-5-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[[2-[2-[(19S)-19-hydroxy-19-methyl-18-methylidene-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylamino]acetyl]amino]methyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 167598586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).