7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine

C138H167N23O40 — CID 159051823

About 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine

7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine (PubChem CID 159051823) has the molecular formula C138H167N23O40 and a molecular weight of 2787.97 g/mol. Its IUPAC name is 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine.

Molecular Properties

• Compound Name: 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine
• PubChem CID: 159051823
• Molecular Formula: C138H167N23O40
• Molecular Weight: 2787.97 g/mol
• Exact Mass: 2786.17
• IUPAC Name: 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine
• SMILES: CC(=O)CCC(=O)NCCN(C)C(=O)Oc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ncc3c2cc1CO)OCO5.CC(=O)N(C)CCCC(=O)CCC(=O)O.CN(C)CCn1c(=O)c2cc(O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CN(C)CCn1c(=O)c2cc(OC(=O)N(C)CCNC(=O)CCC(=O)O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CN(C)CCn1c(=O)c2cc(OC(=O)N(C)CCNC(=O)CCC(=O)ON3C(=O)CCC3=O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CNCCCC(=O)CCC(=O)O.CNCCN
• InChI: InChI=1S/C34H36N6O11.C31H35N5O8.C30H33N5O9.C22H21N3O5.C10H17NO4.C8H15NO3.C3H10N2/c1-37(2)10-11-39-32-22-14-26-27(49-18-48-26)15-24(22)36-16-23(32)20-12-19(17-41)25(13-21(20)33(39)46)50-34(47)38(3)9-8-35-28(42)4-7-31(45)51-40-29(43)5-6-30(40)44;1-18(38)5-6-28(39)32-7-8-35(4)31(41)44-25-12-21-20(11-19(25)16-37)23-15-33-24-14-27-26(42-17-43-27)13-22(24)29(23)36(30(21)40)10-9-34(2)3;1-33(2)8-9-35-28-20-12-24-25(43-16-42-24)13-22(20)32-14-21(28)18-10-17(15-36)23(11-19(18)29(35)40)44-30(41)34(3)7-6-31-26(37)4-5-27(38)39;1-24(2)3-4-25-21-15-7-19-20(30-11-29-19)8-17(15)23-9-16(21)13-5-12(10-26)18(27)6-14(13)22(25)28;1-8(12)11(2)7-3-4-9(13)5-6-10(14)15;1-9-6-2-3-7(10)4-5-8(11)12;1-5-3-2-4/h12-16,41H,4-11,17-18H2,1-3H3,(H,35,42);11-15,37H,5-10,16-17H2,1-4H3,(H,32,39);10-14,36H,4-9,15-16H2,1-3H3,(H,31,37)(H,38,39);5-9,26-27H,3-4,10-11H2,1-2H3;3-7H2,1-2H3,(H,14,15);9H,2-6H2,1H3,(H,11,12);5H,2-4H2,1H3
• InChIKey: JXIYGORRAGHWIH-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 800.61 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 52
• Rotatable Bonds: 54
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.97
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine?

The IUPAC name of 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine (CID 159051823) is 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine.

What is the SMILES notation for 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine?

The canonical SMILES for 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine is CC(=O)CCC(=O)NCCN(C)C(=O)Oc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ncc3c2cc1CO)OCO5.CC(=O)N(C)CCCC(=O)CCC(=O)O.CN(C)CCn1c(=O)c2cc(O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CN(C)CCn1c(=O)c2cc(OC(=O)N(C)CCNC(=O)CCC(=O)O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CN(C)CCn1c(=O)c2cc(OC(=O)N(C)CCNC(=O)CCC(=O)ON3C(=O)CCC3=O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CNCCCC(=O)CCC(=O)O.CNCCN.

What is the InChIKey of 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine?

The InChIKey is JXIYGORRAGHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O11.C31H35N5O8.C30H33N5O9.C22H21N3O5.C10H17NO4.C8H15NO3.C3H10N2/c1-37(2)10-11-39-32-22-14-26-27(49-18-48-26)15-24(22)36-16-23(32)20-12-19(17-41)25(13-21(20)33(39)46)50-34(47)38(3)9-8-35-28(42)4-7-31(45)51-40-29(43)5-6-30(40)44;1-18(38)5-6-28(39)32-7-8-35(4)31(41)44-25-12-21-20(11-19(25)16-37)23-15-33-24-14-27-26(42-17-43-27)13-22(24)29(23)36(30(21)40)10-9-34(2)3;1-33(2)8-9-35-28-20-12-24-25(43-16-42-24)13-22(20)32-14-21(28)18-10-17(15-36)23(11-19(18)29(35)40)44-30(41)34(3)7-6-31-26(37)4-5-27(38)39;1-24(2)3-4-25-21-15-7-19-20(30-11-29-19)8-17(15)23-9-16(21)13-5-12(10-26)18(27)6-14(13)22(25)28;1-8(12)11(2)7-3-4-9(13)5-6-10(14)15;1-9-6-2-3-7(10)4-5-8(11)12;1-5-3-2-4/h12-16,41H,4-11,17-18H2,1-3H3,(H,35,42);11-15,37H,5-10,16-17H2,1-4H3,(H,32,39);10-14,36H,4-9,15-16H2,1-3H3,(H,31,37)(H,38,39);5-9,26-27H,3-4,10-11H2,1-2H3;3-7H2,1-2H3,(H,14,15);9H,2-6H2,1H3,(H,11,12);5H,2-4H2,1H3.

What are the key properties of 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine?

7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine has a molecular weight of 2787.97 g/mol, XLogP of 8.17, 54 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[acetyl(methyl)amino]-4-oxoheptanoic acid;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl] N-methyl-N-[2-(4-oxopentanoylamino)ethyl]carbamate;4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]ethylamino]-4-oxobutanoate;7-(methylamino)-4-oxoheptanoic acid;N'-methylethane-1,2-diamine is sourced from PubChem (CID 159051823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).