(2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate

C133H155N11O38 — CID 158529631

IUPAC(2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate
SMILESCC(=O)N[C@@H](COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(=O)N[C@@H](COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(CO)cc1)C(C)C.COC(=O)[C@@H]1CN1C(C)=O.COC(=O)[C@H](COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21)NC(C)=O.O=C(NCCOCCO)OCC1c2ccccc2-c2ccccc21.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C44H57N5O10.C26H31NO7.C25H29NO7.C19H21NO4.C13H8N2O7.C6H9NO3/c1-28(2)36(42(54)49-38(13-8-18-46-43(45)55)40(52)23-30-14-16-31(25-50)17-15-30)24-41(53)39(48-29(3)51)27-58-22-21-57-20-19-47-44(56)59-26-37-34-11-6-4-9-32(34)33-10-5-7-12-35(33)37;1-18(28)27-24(26(30)31-2)17-33-15-14-32-13-7-12-25(29)34-16-23-21-10-5-3-8-19(21)20-9-4-6-11-22(20)23;1-17(27)26-23(25(29)30)16-32-14-13-31-12-6-11-24(28)33-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22;21-10-12-23-11-9-20-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;1-4(8)7-3-5(7)6(9)10-2/h4-7,9-12,14-17,28,36-39,50H,8,13,18-27H2,1-3H3,(H,47,56)(H,48,51)(H,49,54)(H3,45,46,55);3-6,8-11,23-24H,7,12-17H2,1-2H3,(H,27,28);2-5,7-10,22-23H,6,11-16H2,1H3,(H,26,27)(H,29,30);1-8,18,21H,9-13H2,(H,20,22);1-8H;5H,3H2,1-2H3/t36-,38-,39-;24-;23-;;;5-,7?/m000..0/s1
InChIKeyHNEZDBKPPJCMQV-GMVMDFBYSA-N
MW2515.74 g/mol
LogP14.11
Rot. Bonds63

About (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate

(2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate (PubChem CID 158529631) has the molecular formula C133H155N11O38 and a molecular weight of 2515.74 g/mol. Its IUPAC name is (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate.

Molecular Properties

Compound Name(2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate
PubChem CID158529631
Molecular FormulaC133H155N11O38
Molecular Weight2515.74 g/mol
Exact Mass2514.05
IUPAC Name(2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate
SMILESCC(=O)N[C@@H](COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(=O)N[C@@H](COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(CO)cc1)C(C)C.COC(=O)[C@@H]1CN1C(C)=O.COC(=O)[C@H](COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21)NC(C)=O.O=C(NCCOCCO)OCC1c2ccccc2-c2ccccc21.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C44H57N5O10.C26H31NO7.C25H29NO7.C19H21NO4.C13H8N2O7.C6H9NO3/c1-28(2)36(42(54)49-38(13-8-18-46-43(45)55)40(52)23-30-14-16-31(25-50)17-15-30)24-41(53)39(48-29(3)51)27-58-22-21-57-20-19-47-44(56)59-26-37-34-11-6-4-9-32(34)33-10-5-7-12-35(33)37;1-18(28)27-24(26(30)31-2)17-33-15-14-32-13-7-12-25(29)34-16-23-21-10-5-3-8-19(21)20-9-4-6-11-22(20)23;1-17(27)26-23(25(29)30)16-32-14-13-31-12-6-11-24(28)33-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22;21-10-12-23-11-9-20-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;1-4(8)7-3-5(7)6(9)10-2/h4-7,9-12,14-17,28,36-39,50H,8,13,18-27H2,1-3H3,(H,47,56)(H,48,51)(H,49,54)(H3,45,46,55);3-6,8-11,23-24H,7,12-17H2,1-2H3,(H,27,28);2-5,7-10,22-23H,6,11-16H2,1H3,(H,26,27)(H,29,30);1-8,18,21H,9-13H2,(H,20,22);1-8H;5H,3H2,1-2H3/t36-,38-,39-;24-;23-;;;5-,7?/m000..0/s1
InChIKeyHNEZDBKPPJCMQV-GMVMDFBYSA-N
XLogP14.11
TPSA671.78 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds63
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002515.74
LogP ≤ 514.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate with MolForge

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Related Compounds

(2S)-2-acetamido-3-[2-[2-[2-[2-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[2-[2-[2-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate
CID 159508770
[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl (4-nitrophenyl) carbonate
CID 159196065
9H-fluoren-9-ylmethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
CID 140783783
[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 166770909
methyl (4S)-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[(4-nitrophenoxy)carbonyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]-5-oxopentanoate
CID 168877557
(4S)-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[(4-nitrophenoxy)carbonyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[3-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxopentanoic acid
CID 175468326
tert-butyl (4S)-5-[[2-[[(2S)-5-(carbamoylamino)-1-[4-[(4-nitrophenoxy)carbonyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-5-oxopentanoate
CID 178189842
[4-[[(2R)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 59841863
(2S)-2-acetamido-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoic acid
CID 118902767
tert-butyl (4S)-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[3-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxopentanoate
CID 176671628
[4-[[(2S,5S)-2-[3-(carbamoylamino)propyl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 160954158
(2S)-5-(carbamoylamino)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoic acid
CID 70824543

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate?
The IUPAC name of (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate (CID 158529631) is (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate.
What is the SMILES notation for (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate?
The canonical SMILES for (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate is CC(=O)N[C@@H](COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(=O)N[C@@H](COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(CO)cc1)C(C)C.COC(=O)[C@@H]1CN1C(C)=O.COC(=O)[C@H](COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21)NC(C)=O.O=C(NCCOCCO)OCC1c2ccccc2-c2ccccc21.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate?
The InChIKey is HNEZDBKPPJCMQV-GMVMDFBYSA-N. The full InChI is InChI=1S/C44H57N5O10.C26H31NO7.C25H29NO7.C19H21NO4.C13H8N2O7.C6H9NO3/c1-28(2)36(42(54)49-38(13-8-18-46-43(45)55)40(52)23-30-14-16-31(25-50)17-15-30)24-41(53)39(48-29(3)51)27-58-22-21-57-20-19-47-44(56)59-26-37-34-11-6-4-9-32(34)33-10-5-7-12-35(33)37;1-18(28)27-24(26(30)31-2)17-33-15-14-32-13-7-12-25(29)34-16-23-21-10-5-3-8-19(21)20-9-4-6-11-22(20)23;1-17(27)26-23(25(29)30)16-32-14-13-31-12-6-11-24(28)33-15-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22;21-10-12-23-11-9-20-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;1-4(8)7-3-5(7)6(9)10-2/h4-7,9-12,14-17,28,36-39,50H,8,13,18-27H2,1-3H3,(H,47,56)(H,48,51)(H,49,54)(H3,45,46,55);3-6,8-11,23-24H,7,12-17H2,1-2H3,(H,27,28);2-5,7-10,22-23H,6,11-16H2,1H3,(H,26,27)(H,29,30);1-8,18,21H,9-13H2,(H,20,22);1-8H;5H,3H2,1-2H3/t36-,38-,39-;24-;23-;;;5-,7?/m000..0/s1.
What are the key properties of (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate?
(2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate has a molecular weight of 2515.74 g/mol, XLogP of 14.11, 63 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoic acid;bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-[2-[2-[(2S,5S)-2-acetamido-5-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethoxy]ethyl]carbamate;9H-fluoren-9-ylmethyl 4-[2-[(2S)-2-acetamido-3-methoxy-3-oxopropoxy]ethoxy]butanoate;9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate;methyl (2S)-1-acetylaziridine-2-carboxylate is sourced from PubChem (CID 158529631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).