(2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate

C136H151N13O46 — CID 162138296

About (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate

(2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate (PubChem CID 162138296) has the molecular formula C136H151N13O46 and a molecular weight of 2703.75 g/mol. Its IUPAC name is (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate.

Molecular Properties

• Compound Name: (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate
• PubChem CID: 162138296
• Molecular Formula: C136H151N13O46
• Molecular Weight: 2703.75 g/mol
• Exact Mass: 2701.99
• IUPAC Name: (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate
• SMILES: CCCCc1c2c(nc3ccc(CC(=O)OCc4ccc(OC5OC[C@@H](O)[C@H](O)[C@H]5O)c(NC(=O)CCN)c4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2.CCCCc1c2c(nc3ccc(CC(=O)OCc4ccc(OC5OC[C@@H](O)[C@H](O)[C@H]5O)c(NC(=O)CCN)c4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.CCCCc1c2c(nc3ccc(CC(=O)OCc4ccc(OC5OC[C@@H](O)[C@H](O)[C@H]5O)c(NC(=O)CCNC(=O)CCCCCN5C(=O)C=CC5=O)c4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C51H57N5O15.C41H48N4O13.C41H46N4O12.3CO2/c1-3-5-9-30-31-20-28(11-13-35(31)54-45-32(30)24-56-37(45)23-34-33(48(56)65)26-70-50(66)51(34,67)4-2)22-44(62)68-25-29-12-14-39(71-49-47(64)46(63)38(57)27-69-49)36(21-29)53-41(59)17-18-52-40(58)10-7-6-8-19-55-42(60)15-16-43(55)61;1-3-5-6-23-24-13-21(7-9-28(24)44-35-25(23)17-45-30(35)16-27(26(18-46)38(45)52)41(55,4-2)40(53)54)15-34(49)56-19-22-8-10-32(29(14-22)43-33(48)11-12-42)58-39-37(51)36(50)31(47)20-57-39;1-3-5-6-23-24-13-21(7-9-28(24)44-35-25(23)17-45-30(35)16-27-26(38(45)51)19-56-40(52)41(27,53)4-2)15-34(48)54-18-22-8-10-32(29(14-22)43-33(47)11-12-42)57-39-37(50)36(49)31(46)20-55-39;3*2-1-3/h11-16,20-21,23,38,46-47,49,57,63-64,67H,3-10,17-19,22,24-27H2,1-2H3,(H,52,58)(H,53,59);7-10,13-14,16,31,36-37,39,46-47,50-51,55H,3-6,11-12,15,17-20,42H2,1-2H3,(H,43,48)(H,53,54);7-10,13-14,16,31,36-37,39,46,49-50,53H,3-6,11-12,15,17-20,42H2,1-2H3,(H,43,47);;;/t38-,46+,47-,49?,51+;2*31-,36+,37-,39?,41+;;;/m111.../s1
• InChIKey: ZJOUASUVVRPPEB-MHDWCICASA-N
• XLogP: 3.85
• TPSA: 900.08 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 53
• Rotatable Bonds: 49
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2703.75
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate?

The IUPAC name of (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate (CID 162138296) is (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate.

What is the SMILES notation for (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate?

The canonical SMILES for (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate is CCCCc1c2c(nc3ccc(CC(=O)OCc4ccc(OC5OC[C@@H](O)[C@H](O)[C@H]5O)c(NC(=O)CCN)c4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2.CCCCc1c2c(nc3ccc(CC(=O)OCc4ccc(OC5OC[C@@H](O)[C@H](O)[C@H]5O)c(NC(=O)CCN)c4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.CCCCc1c2c(nc3ccc(CC(=O)OCc4ccc(OC5OC[C@@H](O)[C@H](O)[C@H]5O)c(NC(=O)CCNC(=O)CCCCCN5C(=O)C=CC5=O)c4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.O=C=O.O=C=O.O=C=O.

What is the InChIKey of (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate?

The InChIKey is ZJOUASUVVRPPEB-MHDWCICASA-N. The full InChI is InChI=1S/C51H57N5O15.C41H48N4O13.C41H46N4O12.3CO2/c1-3-5-9-30-31-20-28(11-13-35(31)54-45-32(30)24-56-37(45)23-34-33(48(56)65)26-70-50(66)51(34,67)4-2)22-44(62)68-25-29-12-14-39(71-49-47(64)46(63)38(57)27-69-49)36(21-29)53-41(59)17-18-52-40(58)10-7-6-8-19-55-42(60)15-16-43(55)61;1-3-5-6-23-24-13-21(7-9-28(24)44-35-25(23)17-45-30(35)16-27(26(18-46)38(45)52)41(55,4-2)40(53)54)15-34(49)56-19-22-8-10-32(29(14-22)43-33(48)11-12-42)58-39-37(51)36(50)31(47)20-57-39;1-3-5-6-23-24-13-21(7-9-28(24)44-35-25(23)17-45-30(35)16-27-26(38(45)51)19-56-40(52)41(27,53)4-2)15-34(48)54-18-22-8-10-32(29(14-22)43-33(47)11-12-42)57-39-37(50)36(49)31(46)20-55-39;3*2-1-3/h11-16,20-21,23,38,46-47,49,57,63-64,67H,3-10,17-19,22,24-27H2,1-2H3,(H,52,58)(H,53,59);7-10,13-14,16,31,36-37,39,46-47,50-51,55H,3-6,11-12,15,17-20,42H2,1-2H3,(H,43,48)(H,53,54);7-10,13-14,16,31,36-37,39,46,49-50,53H,3-6,11-12,15,17-20,42H2,1-2H3,(H,43,47);;;/t38-,46+,47-,49?,51+;2*31-,36+,37-,39?,41+;;;/m111.../s1.

What are the key properties of (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate?

(2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate has a molecular weight of 2703.75 g/mol, XLogP of 3.85, 49 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2-[2-[[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methoxy]-2-oxoethyl]-12-butyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;[3-(3-aminopropanoylamino)-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate;tris(carbon dioxide);[3-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl 2-[(19S)-10-butyl-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(9),5,7,10,15(20)-heptaen-7-yl]acetate is sourced from PubChem (CID 162138296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).