5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid

C149H209BrN32O35 — CID 167539093

IUPAC5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid
SMILESC#CCCCCC(=O)O.CC(C)C(N)C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1.CC(C)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CBr)cc1.CC(C)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1.Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12.Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCc3ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(C)C)cc3)cc12.[N-]=[N+]=NCCOCCOCCOCC(=O)O
InChIInChI=1S/C44H55N9O8.C27H42BrN7O7.C27H43N7O8.C19H30N4O4.C17H14N2O.C8H15N3O5.C7H10O2/c1-27(2)41(52-39(55)26-60-21-20-59-19-18-58-17-16-49-53-46)38(54)22-31(6-5-14-48-44(45)57)43(56)50-32-9-7-30(8-10-32)25-61-33-11-12-37-35(23-33)40-28(3)36-24-47-15-13-34(36)29(4)42(40)51-37;1-19(2)25(34-24(37)18-42-15-14-41-13-12-40-11-10-32-35-30)23(36)16-21(4-3-9-31-27(29)39)26(38)33-22-7-5-20(17-28)6-8-22;1-19(2)25(33-24(37)18-42-15-14-41-13-12-40-11-10-31-34-29)23(36)16-21(4-3-9-30-27(28)39)26(38)32-22-7-5-20(17-35)6-8-22;1-12(2)17(20)16(25)10-14(4-3-9-22-19(21)27)18(26)23-15-7-5-13(11-24)6-8-15;1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;9-11-10-1-2-14-3-4-15-5-6-16-7-8(12)13;1-2-3-4-5-6-7(8)9/h7-13,15,23-24,27,31,41,51H,5-6,14,16-22,25-26H2,1-4H3,(H,50,56)(H,52,55)(H3,45,48,57);5-8,19,21,25H,3-4,9-18H2,1-2H3,(H,33,38)(H,34,37)(H3,29,31,39);5-8,19,21,25,35H,3-4,9-18H2,1-2H3,(H,32,38)(H,33,37)(H3,28,30,39);5-8,12,14,17,24H,3-4,9-11,20H2,1-2H3,(H,23,26)(H3,21,22,27);3-8,19-20H,1-2H3;1-7H2,(H,12,13);1H,3-6H2,(H,8,9)
InChIKeyAXYUNDJVUAXMKU-UHFFFAOYSA-N
MW3088.40 g/mol
LogP18.23
Rot. Bonds97

About 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid

5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid (PubChem CID 167539093) has the molecular formula C149H209BrN32O35 and a molecular weight of 3088.40 g/mol. Its IUPAC name is 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid.

Molecular Properties

Compound Name5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid
PubChem CID167539093
Molecular FormulaC149H209BrN32O35
Molecular Weight3088.40 g/mol
Exact Mass3085.47
IUPAC Name5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid
SMILESC#CCCCCC(=O)O.CC(C)C(N)C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1.CC(C)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CBr)cc1.CC(C)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1.Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12.Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCc3ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(C)C)cc3)cc12.[N-]=[N+]=NCCOCCOCCOCC(=O)O
InChIInChI=1S/C44H55N9O8.C27H42BrN7O7.C27H43N7O8.C19H30N4O4.C17H14N2O.C8H15N3O5.C7H10O2/c1-27(2)41(52-39(55)26-60-21-20-59-19-18-58-17-16-49-53-46)38(54)22-31(6-5-14-48-44(45)57)43(56)50-32-9-7-30(8-10-32)25-61-33-11-12-37-35(23-33)40-28(3)36-24-47-15-13-34(36)29(4)42(40)51-37;1-19(2)25(34-24(37)18-42-15-14-41-13-12-40-11-10-32-35-30)23(36)16-21(4-3-9-31-27(29)39)26(38)33-22-7-5-20(17-28)6-8-22;1-19(2)25(33-24(37)18-42-15-14-41-13-12-40-11-10-31-34-29)23(36)16-21(4-3-9-30-27(28)39)26(38)32-22-7-5-20(17-35)6-8-22;1-12(2)17(20)16(25)10-14(4-3-9-22-19(21)27)18(26)23-15-7-5-13(11-24)6-8-15;1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;9-11-10-1-2-14-3-4-15-5-6-16-7-8(12)13;1-2-3-4-5-6-7(8)9/h7-13,15,23-24,27,31,41,51H,5-6,14,16-22,25-26H2,1-4H3,(H,50,56)(H,52,55)(H3,45,48,57);5-8,19,21,25H,3-4,9-18H2,1-2H3,(H,33,38)(H,34,37)(H3,29,31,39);5-8,19,21,25,35H,3-4,9-18H2,1-2H3,(H,32,38)(H,33,37)(H3,28,30,39);5-8,12,14,17,24H,3-4,9-11,20H2,1-2H3,(H,23,26)(H3,21,22,27);3-8,19-20H,1-2H3;1-7H2,(H,12,13);1H,3-6H2,(H,8,9)
InChIKeyAXYUNDJVUAXMKU-UHFFFAOYSA-N
XLogP18.23
TPSA1026.16 Ų
H-Bond Donors23
H-Bond Acceptors40
Rotatable Bonds97
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003088.40
LogP ≤ 518.23
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid?
The IUPAC name of 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid (CID 167539093) is 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid.
What is the SMILES notation for 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid?
The canonical SMILES for 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid is C#CCCCCC(=O)O.CC(C)C(N)C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1.CC(C)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CBr)cc1.CC(C)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1.Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12.Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCc3ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(=O)COCCOCCOCCN=[N+]=[N-])C(C)C)cc3)cc12.[N-]=[N+]=NCCOCCOCCOCC(=O)O.
What is the InChIKey of 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid?
The InChIKey is AXYUNDJVUAXMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H55N9O8.C27H42BrN7O7.C27H43N7O8.C19H30N4O4.C17H14N2O.C8H15N3O5.C7H10O2/c1-27(2)41(52-39(55)26-60-21-20-59-19-18-58-17-16-49-53-46)38(54)22-31(6-5-14-48-44(45)57)43(56)50-32-9-7-30(8-10-32)25-61-33-11-12-37-35(23-33)40-28(3)36-24-47-15-13-34(36)29(4)42(40)51-37;1-19(2)25(34-24(37)18-42-15-14-41-13-12-40-11-10-32-35-30)23(36)16-21(4-3-9-31-27(29)39)26(38)33-22-7-5-20(17-28)6-8-22;1-19(2)25(33-24(37)18-42-15-14-41-13-12-40-11-10-31-34-29)23(36)16-21(4-3-9-30-27(28)39)26(38)32-22-7-5-20(17-35)6-8-22;1-12(2)17(20)16(25)10-14(4-3-9-22-19(21)27)18(26)23-15-7-5-13(11-24)6-8-15;1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;9-11-10-1-2-14-3-4-15-5-6-16-7-8(12)13;1-2-3-4-5-6-7(8)9/h7-13,15,23-24,27,31,41,51H,5-6,14,16-22,25-26H2,1-4H3,(H,50,56)(H,52,55)(H3,45,48,57);5-8,19,21,25H,3-4,9-18H2,1-2H3,(H,33,38)(H,34,37)(H3,29,31,39);5-8,19,21,25,35H,3-4,9-18H2,1-2H3,(H,32,38)(H,33,37)(H3,28,30,39);5-8,12,14,17,24H,3-4,9-11,20H2,1-2H3,(H,23,26)(H3,21,22,27);3-8,19-20H,1-2H3;1-7H2,(H,12,13);1H,3-6H2,(H,8,9).
What are the key properties of 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid?
5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid has a molecular weight of 3088.40 g/mol, XLogP of 18.23, 97 rotatable bonds, 23 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-N-[4-(bromomethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxymethyl]phenyl]-6-methyl-4-oxoheptanamide;5-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hept-6-ynoic acid is sourced from PubChem (CID 167539093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).