(1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid

C149H190N18O43 — CID 167653645

About (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid

(1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid (PubChem CID 167653645) has the molecular formula C149H190N18O43 and a molecular weight of 2921.24 g/mol. Its IUPAC name is (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid
• PubChem CID: 167653645
• Molecular Formula: C149H190N18O43
• Molecular Weight: 2921.24 g/mol
• Exact Mass: 2919.32
• IUPAC Name: (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCC(=O)N(CCOCCOCCC(=O)O)C2CCN(C(=O)CCC(=O)Nc3ccc4c(c3)c3c(n4CCC(=O)N4CCC(N(CCOCCOCCC(=O)O)C(=O)CCC(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc5ccc(COC(=O)N(CCc6c7c(nc8ccccc68)-c6cc8c(c(=O)n6C7)COC(=O)[C@]8(O)CC)C(C)C)cc5O[C@@H]5C[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(C)C)CC4)CN(C)N(C)C3)CC2)C(C)C)c(O[C@@H]2C[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)C(C)C
• InChI: InChI=1S/C149H190N18O43/c1-15-148(199)103-70-110-130-99(73-166(110)140(189)101(103)78-205-144(148)195)91(93-21-17-19-23-105(93)151-130)41-50-161(82(7)8)146(197)207-76-86-25-28-107(115(65-86)209-117-68-96(142(191)192)132(181)136(185)134(117)183)153-138(187)84(11)63-113(168)128(80(3)4)155-120(171)32-35-124(175)163(53-57-203-61-59-201-55-44-126(177)178)89-37-46-159(47-38-89)122(173)34-31-119(170)150-88-27-30-109-95(67-88)98-72-157(13)158(14)75-112(98)165(109)52-43-123(174)160-48-39-90(40-49-160)164(54-58-204-62-60-202-56-45-127(179)180)125(176)36-33-121(172)156-129(81(5)6)114(169)64-85(12)139(188)154-108-29-26-87(66-116(108)210-118-69-97(143(193)194)133(182)137(186)135(118)184)77-208-147(198)162(83(9)10)51-42-92-94-22-18-20-24-106(94)152-131-100(92)74-167-111(131)71-104-102(141(167)190)79-206-145(196)149(104,200)16-2/h17-30,65-67,70-71,80-85,89-90,96-97,117-118,128-129,132-137,181-186,199-200H,15-16,31-64,68-69,72-79H2,1-14H3,(H,150,170)(H,153,187)(H,154,188)(H,155,171)(H,156,172)(H,177,178)(H,179,180)(H,191,192)(H,193,194)/t84-,85-,96+,97+,117-,118-,128+,129+,132-,133-,134+,135+,136+,137+,148+,149+/m1/s1
• InChIKey: JJBLQYWUOOYYQO-IUBNEZBSSA-N
• XLogP: 8.34
• TPSA: 820.17 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 46
• Rotatable Bonds: 67
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2921.24
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid?

The IUPAC name of (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid (CID 167653645) is (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid.

What is the SMILES notation for (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid?

The canonical SMILES for (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCC(=O)N(CCOCCOCCC(=O)O)C2CCN(C(=O)CCC(=O)Nc3ccc4c(c3)c3c(n4CCC(=O)N4CCC(N(CCOCCOCCC(=O)O)C(=O)CCC(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc5ccc(COC(=O)N(CCc6c7c(nc8ccccc68)-c6cc8c(c(=O)n6C7)COC(=O)[C@]8(O)CC)C(C)C)cc5O[C@@H]5C[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(C)C)CC4)CN(C)N(C)C3)CC2)C(C)C)c(O[C@@H]2C[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)C(C)C.

What is the InChIKey of (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid?

The InChIKey is JJBLQYWUOOYYQO-IUBNEZBSSA-N. The full InChI is InChI=1S/C149H190N18O43/c1-15-148(199)103-70-110-130-99(73-166(110)140(189)101(103)78-205-144(148)195)91(93-21-17-19-23-105(93)151-130)41-50-161(82(7)8)146(197)207-76-86-25-28-107(115(65-86)209-117-68-96(142(191)192)132(181)136(185)134(117)183)153-138(187)84(11)63-113(168)128(80(3)4)155-120(171)32-35-124(175)163(53-57-203-61-59-201-55-44-126(177)178)89-37-46-159(47-38-89)122(173)34-31-119(170)150-88-27-30-109-95(67-88)98-72-157(13)158(14)75-112(98)165(109)52-43-123(174)160-48-39-90(40-49-160)164(54-58-204-62-60-202-56-45-127(179)180)125(176)36-33-121(172)156-129(81(5)6)114(169)64-85(12)139(188)154-108-29-26-87(66-116(108)210-118-69-97(143(193)194)133(182)137(186)135(118)184)77-208-147(198)162(83(9)10)51-42-92-94-22-18-20-24-106(94)152-131-100(92)74-167-111(131)71-104-102(141(167)190)79-206-145(196)149(104,200)16-2/h17-30,65-67,70-71,80-85,89-90,96-97,117-118,128-129,132-137,181-186,199-200H,15-16,31-64,68-69,72-79H2,1-14H3,(H,150,170)(H,153,187)(H,154,188)(H,155,171)(H,156,172)(H,177,178)(H,179,180)(H,191,192)(H,193,194)/t84-,85-,96+,97+,117-,118-,128+,129+,132-,133-,134+,135+,136+,137+,148+,149+/m1/s1.

What are the key properties of (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid?

(1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid has a molecular weight of 2921.24 g/mol, XLogP of 8.34, 67 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,3S,4R,5R)-5-[2-[[(2R,5S)-5-[[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[1-[4-[[5-[3-[4-[2-[2-(2-carboxyethoxy)ethoxy]ethyl-[4-[[(3S,6R)-7-[2-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-4-oxobutanoyl]amino]piperidin-1-yl]-3-oxopropyl]-2,3-dimethyl-1,4-dihydropyridazino[4,5-b]indol-8-yl]amino]-4-oxobutanoyl]piperidin-4-yl]amino]-4-oxobutanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-ylcarbamoyl]oxymethyl]phenoxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 167653645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).