(2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C117H140N18O36 — CID 167652419

About (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 167652419) has the molecular formula C117H140N18O36 and a molecular weight of 2374.50 g/mol. Its IUPAC name is (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 167652419
• Molecular Formula: C117H140N18O36
• Molecular Weight: 2374.50 g/mol
• Exact Mass: 2372.97
• IUPAC Name: (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(CC)OC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCC(=O)Nc2ccc3c(c2)cc(CN(C)NC)n3CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc2ccc(COC(=O)N(C)CCN(C)C(=O)O[C@]3(CC)C(=O)CCc4c3cc3n(c4=O)Cc4c-3nc3ccc(O)cc3c4CC)cc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)C(C)C)c(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1
• InChI: InChI=1S/C117H140N18O36/c1-17-66-69-45-64(136)24-29-76(69)122-91-71(66)50-134-81(91)47-74-68(105(134)152)26-32-85(138)116(74,19-3)170-114(161)130(14)39-37-128(12)112(159)164-52-59-22-28-79(84(41-59)167-110-98(147)94(143)96(145)100(169-110)108(156)157)125-102(149)58(10)120-104(151)90(56(7)8)127-88(141)35-36-133-63(49-132(16)118-11)44-61-43-62(23-31-80(61)133)121-86(139)33-34-87(140)126-89(55(5)6)103(150)119-57(9)101(148)124-78-27-21-60(42-83(78)166-109-97(146)93(142)95(144)99(168-109)107(154)155)53-165-113(160)129(13)38-40-131(15)115(162)171-117(20-4)75-48-82-92-72(51-135(82)106(153)73(75)54-163-111(117)158)67(18-2)70-46-65(137)25-30-77(70)123-92/h21-25,27-31,41-48,55-58,89-90,93-100,109-110,118,136-137,142-147H,17-20,26,32-40,49-54H2,1-16H3,(H,119,150)(H,120,151)(H,121,139)(H,124,148)(H,125,149)(H,126,140)(H,127,141)(H,154,155)(H,156,157)/t57-,58-,89-,90-,93-,94-,95-,96-,97+,98+,99-,100-,109?,110+,116-,117+/m0/s1
• InChIKey: SMEBNPXGVDIOOI-ABLNGBOQSA-N
• XLogP: 4.90
• TPSA: 728.57 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 41
• Rotatable Bonds: 44
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.50
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 167652419) is (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(CC)OC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCC(=O)Nc2ccc3c(c2)cc(CN(C)NC)n3CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc2ccc(COC(=O)N(C)CCN(C)C(=O)O[C@]3(CC)C(=O)CCc4c3cc3n(c4=O)Cc4c-3nc3ccc(O)cc3c4CC)cc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)C(C)C)c(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1.

What is the InChIKey of (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is SMEBNPXGVDIOOI-ABLNGBOQSA-N. The full InChI is InChI=1S/C117H140N18O36/c1-17-66-69-45-64(136)24-29-76(69)122-91-71(66)50-134-81(91)47-74-68(105(134)152)26-32-85(138)116(74,19-3)170-114(161)130(14)39-37-128(12)112(159)164-52-59-22-28-79(84(41-59)167-110-98(147)94(143)96(145)100(169-110)108(156)157)125-102(149)58(10)120-104(151)90(56(7)8)127-88(141)35-36-133-63(49-132(16)118-11)44-61-43-62(23-31-80(61)133)121-86(139)33-34-87(140)126-89(55(5)6)103(150)119-57(9)101(148)124-78-27-21-60(42-83(78)166-109-97(146)93(142)95(144)99(168-109)107(154)155)53-165-113(160)129(13)38-40-131(15)115(162)171-117(20-4)75-48-82-92-72(51-135(82)106(153)73(75)54-163-111(117)158)67(18-2)70-46-65(137)25-30-77(70)123-92/h21-25,27-31,41-48,55-58,89-90,93-100,109-110,118,136-137,142-147H,17-20,26,32-40,49-54H2,1-16H3,(H,119,150)(H,120,151)(H,121,139)(H,124,148)(H,125,149)(H,126,140)(H,127,141)(H,154,155)(H,156,157)/t57-,58-,89-,90-,93-,94-,95-,96-,97+,98+,99-,100-,109?,110+,116-,117+/m0/s1.

What are the key properties of (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 2374.50 g/mol, XLogP of 4.90, 44 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R)-6-[2-[[(2S)-2-[[(2S)-2-[[4-[[1-[3-[[(2S)-1-[[(2S)-1-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[2-[[(19R)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 167652419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).