2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate

C119H176N18O41P2 — CID 158433721

IUPAC2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate
SMILESCNCCOCCOCCNC(=O)[C@H](CC(=O)OC(=O)c1ccccc1)NC1CCC1N[C@@H](CC(=O)O)C(C)=O.CNCCOCCOCCNC(=O)[C@H](CC(=O)OC(=O)c1ccccc1)NC1CCC1N[C@@H](CC(=O)OC(=O)c1ccccc1)C(C)=O.NCCOCCOCCN.O=C(C[C@H](NC1CCC1N[C@@H](CC(=O)OC(=O)c1ccccc1)C(=O)O)C(=O)O)OC(=O)c1ccccc1.[3H]C(P)C(=O)CNOC(=O)C[C@H](NC1CCC1N[C@@H](CC(=O)ONCC(=O)C([3H])P)C(=O)NCCOCCOCCNC)C(C)=O.[H][H]
InChIInChI=1S/C34H44N4O10.C27H40N4O9.C26H48N6O10P2.C26H26N2O10.C6H16N2O2.H2/c1-23(39)28(21-30(40)47-33(43)24-9-5-3-6-10-24)37-26-13-14-27(26)38-29(22-31(41)48-34(44)25-11-7-4-8-12-25)32(42)36-16-18-46-20-19-45-17-15-35-2;1-18(32)22(16-24(33)34)30-20-8-9-21(20)31-23(17-25(35)40-27(37)19-6-4-3-5-7-19)26(36)29-11-13-39-15-14-38-12-10-28-2;1-17(33)22(11-24(36)41-29-13-18(34)15-43)31-20-3-4-21(20)32-23(12-25(37)42-30-14-19(35)16-44)26(38)28-6-8-40-10-9-39-7-5-27-2;29-21(37-25(35)15-7-3-1-4-8-15)13-19(23(31)32)27-17-11-12-18(17)28-20(24(33)34)14-22(30)38-26(36)16-9-5-2-6-10-16;7-1-3-9-5-6-10-4-2-8;/h3-12,26-29,35,37-38H,13-22H2,1-2H3,(H,36,42);3-7,20-23,28,30-31H,8-17H2,1-2H3,(H,29,36)(H,33,34);20-23,27,29-32H,3-16,43-44H2,1-2H3,(H,28,38);1-10,17-20,27-28H,11-14H2,(H,31,32)(H,33,34);1-8H2;1H/t26?,27?,28-,29-;2*20?,21?,22-,23-;17?,18?,19-,20-;;/m0000../s1/i;;15T,16T;;;/t2m;15?,16?,20?,21?,22-,23-;m;;
InChIKeyHBYXYTNFRSJQOF-FZOSMKJNSA-N
MW2580.77 g/mol
LogP-1.93
Rot. Bonds87

About 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate

2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate (PubChem CID 158433721) has the molecular formula C119H176N18O41P2 and a molecular weight of 2580.77 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate
PubChem CID158433721
Molecular FormulaC119H176N18O41P2
Molecular Weight2580.77 g/mol
Exact Mass2579.19
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate
SMILESCNCCOCCOCCNC(=O)[C@H](CC(=O)OC(=O)c1ccccc1)NC1CCC1N[C@@H](CC(=O)O)C(C)=O.CNCCOCCOCCNC(=O)[C@H](CC(=O)OC(=O)c1ccccc1)NC1CCC1N[C@@H](CC(=O)OC(=O)c1ccccc1)C(C)=O.NCCOCCOCCN.O=C(C[C@H](NC1CCC1N[C@@H](CC(=O)OC(=O)c1ccccc1)C(=O)O)C(=O)O)OC(=O)c1ccccc1.[3H]C(P)C(=O)CNOC(=O)C[C@H](NC1CCC1N[C@@H](CC(=O)ONCC(=O)C([3H])P)C(=O)NCCOCCOCCNC)C(C)=O.[H][H]
InChIInChI=1S/C34H44N4O10.C27H40N4O9.C26H48N6O10P2.C26H26N2O10.C6H16N2O2.H2/c1-23(39)28(21-30(40)47-33(43)24-9-5-3-6-10-24)37-26-13-14-27(26)38-29(22-31(41)48-34(44)25-11-7-4-8-12-25)32(42)36-16-18-46-20-19-45-17-15-35-2;1-18(32)22(16-24(33)34)30-20-8-9-21(20)31-23(17-25(35)40-27(37)19-6-4-3-5-7-19)26(36)29-11-13-39-15-14-38-12-10-28-2;1-17(33)22(11-24(36)41-29-13-18(34)15-43)31-20-3-4-21(20)32-23(12-25(37)42-30-14-19(35)16-44)26(38)28-6-8-40-10-9-39-7-5-27-2;29-21(37-25(35)15-7-3-1-4-8-15)13-19(23(31)32)27-17-11-12-18(17)28-20(24(33)34)14-22(30)38-26(36)16-9-5-2-6-10-16;7-1-3-9-5-6-10-4-2-8;/h3-12,26-29,35,37-38H,13-22H2,1-2H3,(H,36,42);3-7,20-23,28,30-31H,8-17H2,1-2H3,(H,29,36)(H,33,34);20-23,27,29-32H,3-16,43-44H2,1-2H3,(H,28,38);1-10,17-20,27-28H,11-14H2,(H,31,32)(H,33,34);1-8H2;1H/t26?,27?,28-,29-;2*20?,21?,22-,23-;17?,18?,19-,20-;;/m0000../s1/i;;15T,16T;;;/t2m;15?,16?,20?,21?,22-,23-;m;;
InChIKeyHBYXYTNFRSJQOF-FZOSMKJNSA-N
XLogP-1.93
TPSA836.27 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds87
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002580.77
LogP ≤ 5-1.93
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate (CID 158433721) is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate is CNCCOCCOCCNC(=O)[C@H](CC(=O)OC(=O)c1ccccc1)NC1CCC1N[C@@H](CC(=O)O)C(C)=O.CNCCOCCOCCNC(=O)[C@H](CC(=O)OC(=O)c1ccccc1)NC1CCC1N[C@@H](CC(=O)OC(=O)c1ccccc1)C(C)=O.NCCOCCOCCN.O=C(C[C@H](NC1CCC1N[C@@H](CC(=O)OC(=O)c1ccccc1)C(=O)O)C(=O)O)OC(=O)c1ccccc1.[3H]C(P)C(=O)CNOC(=O)C[C@H](NC1CCC1N[C@@H](CC(=O)ONCC(=O)C([3H])P)C(=O)NCCOCCOCCNC)C(C)=O.[H][H].
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate?
The InChIKey is HBYXYTNFRSJQOF-FZOSMKJNSA-N. The full InChI is InChI=1S/C34H44N4O10.C27H40N4O9.C26H48N6O10P2.C26H26N2O10.C6H16N2O2.H2/c1-23(39)28(21-30(40)47-33(43)24-9-5-3-6-10-24)37-26-13-14-27(26)38-29(22-31(41)48-34(44)25-11-7-4-8-12-25)32(42)36-16-18-46-20-19-45-17-15-35-2;1-18(32)22(16-24(33)34)30-20-8-9-21(20)31-23(17-25(35)40-27(37)19-6-4-3-5-7-19)26(36)29-11-13-39-15-14-38-12-10-28-2;1-17(33)22(11-24(36)41-29-13-18(34)15-43)31-20-3-4-21(20)32-23(12-25(37)42-30-14-19(35)16-44)26(38)28-6-8-40-10-9-39-7-5-27-2;29-21(37-25(35)15-7-3-1-4-8-15)13-19(23(31)32)27-17-11-12-18(17)28-20(24(33)34)14-22(30)38-26(36)16-9-5-2-6-10-16;7-1-3-9-5-6-10-4-2-8;/h3-12,26-29,35,37-38H,13-22H2,1-2H3,(H,36,42);3-7,20-23,28,30-31H,8-17H2,1-2H3,(H,29,36)(H,33,34);20-23,27,29-32H,3-16,43-44H2,1-2H3,(H,28,38);1-10,17-20,27-28H,11-14H2,(H,31,32)(H,33,34);1-8H2;1H/t26?,27?,28-,29-;2*20?,21?,22-,23-;17?,18?,19-,20-;;/m0000../s1/i;;15T,16T;;;/t2m;15?,16?,20?,21?,22-,23-;m;;.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate?
2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate has a molecular weight of 2580.77 g/mol, XLogP of -1.93, 87 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;(2S)-4-benzoyloxy-2-[[2-[[(1S)-3-benzoyloxy-1-carboxy-3-oxopropyl]amino]cyclobutyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoic acid;[(3S)-3-[[2-[[(2S)-4-benzoyloxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoyl] benzoate;molecular hydrogen;[(2-oxo-3-phosphanyl-3-tritiopropyl)amino] (3S)-3-[[2-[[(2S)-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1,4-dioxo-4-[(2-oxo-3-phosphanyl-3-tritiopropyl)amino]oxybutan-2-yl]amino]cyclobutyl]amino]-4-oxopentanoate is sourced from PubChem (CID 158433721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).