1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione

C162H312N12O30P2S2 — CID 162070626

IUPAC1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione
SMILESCC(=O)CCCCCCC(=O)CN(CC(=O)CCCCCCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C)C(C)C.CC(C)CCC[C@@H](NC(C)C)C(=O)NCCCC(=O)CCCCCCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)N[C@@H]1C[C@@H](COC(C)C)N(C(C)C)C1.CC(C)N[C@@H]1C[C@@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@H]2C[C@H](NC(C)C)CN2C(C)C)OC(C)C)N(C(C)C)C1.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CC1C(=O)CCCCCCCCCCC(=O)C(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CCCSSCCCC(=O)CCCCC(=O)C(C)C
InChIInChI=1S/C33H63N3O5.C33H60N2O6.C28H60N4O9P2.C27H49NO5S2.C27H50O4.C14H30N2O/c1-24(2)15-13-18-31(35-25(3)4)33(39)34-20-14-17-29(37)16-11-9-10-12-19-32(38)36-22-30(41-27(7)8)21-28(36)23-40-26(5)6;1-25(2)34(21-30(37)17-13-9-8-12-16-28(7)36)22-31(38)18-14-10-11-15-19-33(39)35-23-32(41-27(5)6)20-29(35)24-40-26(3)4;1-19(2)29-24-11-26(31(13-24)21(5)6)15-37-42(33,34)39-17-28(41-23(9)10)18-40-43(35,36)38-16-27-12-25(30-20(3)4)14-32(27)22(7)8;1-20(2)26(30)13-8-7-11-24(29)12-9-15-34-35-16-10-14-27(31)28-18-25(33-22(5)6)17-23(28)19-32-21(3)4;1-20(2)26(28)15-13-11-9-7-8-10-12-14-16-27(29)25-18-24(31-22(5)6)17-23(25)19-30-21(3)4;1-10(2)15-13-7-14(9-17-12(5)6)16(8-13)11(3)4/h24-28,30-31,35H,9-23H2,1-8H3,(H,34,39);25-27,29,32H,8-24H2,1-7H3;19-30H,11-18H2,1-10H3,(H,33,34)(H,35,36);20-23,25H,7-19H2,1-6H3;20-25H,7-19H2,1-6H3;10-15H,7-9H2,1-6H3/t28-,30+,31+;29-,32+;24-,25+,26+,27-,28?;23-,25+;23-,24+,25?;13-,14+/m00.001/s1
InChIKeyZBAKTEVAZCMTKR-BDKLCHTHSA-N
MW3034.41 g/mol
LogP30.76
Rot. Bonds111

About 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione

1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione (PubChem CID 162070626) has the molecular formula C162H312N12O30P2S2 and a molecular weight of 3034.41 g/mol. Its IUPAC name is 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione.

Molecular Properties

Compound Name1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione
PubChem CID162070626
Molecular FormulaC162H312N12O30P2S2
Molecular Weight3034.41 g/mol
Exact Mass3032.22
IUPAC Name1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione
SMILESCC(=O)CCCCCCC(=O)CN(CC(=O)CCCCCCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C)C(C)C.CC(C)CCC[C@@H](NC(C)C)C(=O)NCCCC(=O)CCCCCCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)N[C@@H]1C[C@@H](COC(C)C)N(C(C)C)C1.CC(C)N[C@@H]1C[C@@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@H]2C[C@H](NC(C)C)CN2C(C)C)OC(C)C)N(C(C)C)C1.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CC1C(=O)CCCCCCCCCCC(=O)C(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CCCSSCCCC(=O)CCCCC(=O)C(C)C
InChIInChI=1S/C33H63N3O5.C33H60N2O6.C28H60N4O9P2.C27H49NO5S2.C27H50O4.C14H30N2O/c1-24(2)15-13-18-31(35-25(3)4)33(39)34-20-14-17-29(37)16-11-9-10-12-19-32(38)36-22-30(41-27(7)8)21-28(36)23-40-26(5)6;1-25(2)34(21-30(37)17-13-9-8-12-16-28(7)36)22-31(38)18-14-10-11-15-19-33(39)35-23-32(41-27(5)6)20-29(35)24-40-26(3)4;1-19(2)29-24-11-26(31(13-24)21(5)6)15-37-42(33,34)39-17-28(41-23(9)10)18-40-43(35,36)38-16-27-12-25(30-20(3)4)14-32(27)22(7)8;1-20(2)26(30)13-8-7-11-24(29)12-9-15-34-35-16-10-14-27(31)28-18-25(33-22(5)6)17-23(28)19-32-21(3)4;1-20(2)26(28)15-13-11-9-7-8-10-12-14-16-27(29)25-18-24(31-22(5)6)17-23(25)19-30-21(3)4;1-10(2)15-13-7-14(9-17-12(5)6)16(8-13)11(3)4/h24-28,30-31,35H,9-23H2,1-8H3,(H,34,39);25-27,29,32H,8-24H2,1-7H3;19-30H,11-18H2,1-10H3,(H,33,34)(H,35,36);20-23,25H,7-19H2,1-6H3;20-25H,7-19H2,1-6H3;10-15H,7-9H2,1-6H3/t28-,30+,31+;29-,32+;24-,25+,26+,27-,28?;23-,25+;23-,24+,25?;13-,14+/m00.001/s1
InChIKeyZBAKTEVAZCMTKR-BDKLCHTHSA-N
XLogP30.76
TPSA491.49 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds111
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003034.41
LogP ≤ 530.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione?
The IUPAC name of 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione (CID 162070626) is 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione.
What is the SMILES notation for 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione?
The canonical SMILES for 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione is CC(=O)CCCCCCC(=O)CN(CC(=O)CCCCCCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C)C(C)C.CC(C)CCC[C@@H](NC(C)C)C(=O)NCCCC(=O)CCCCCCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)N[C@@H]1C[C@@H](COC(C)C)N(C(C)C)C1.CC(C)N[C@@H]1C[C@@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@H]2C[C@H](NC(C)C)CN2C(C)C)OC(C)C)N(C(C)C)C1.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CC1C(=O)CCCCCCCCCCC(=O)C(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CCCSSCCCC(=O)CCCCC(=O)C(C)C.
What is the InChIKey of 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione?
The InChIKey is ZBAKTEVAZCMTKR-BDKLCHTHSA-N. The full InChI is InChI=1S/C33H63N3O5.C33H60N2O6.C28H60N4O9P2.C27H49NO5S2.C27H50O4.C14H30N2O/c1-24(2)15-13-18-31(35-25(3)4)33(39)34-20-14-17-29(37)16-11-9-10-12-19-32(38)36-22-30(41-27(7)8)21-28(36)23-40-26(5)6;1-25(2)34(21-30(37)17-13-9-8-12-16-28(7)36)22-31(38)18-14-10-11-15-19-33(39)35-23-32(41-27(5)6)20-29(35)24-40-26(3)4;1-19(2)29-24-11-26(31(13-24)21(5)6)15-37-42(33,34)39-17-28(41-23(9)10)18-40-43(35,36)38-16-27-12-25(30-20(3)4)14-32(27)22(7)8;1-20(2)26(30)13-8-7-11-24(29)12-9-15-34-35-16-10-14-27(31)28-18-25(33-22(5)6)17-23(28)19-32-21(3)4;1-20(2)26(28)15-13-11-9-7-8-10-12-14-16-27(29)25-18-24(31-22(5)6)17-23(25)19-30-21(3)4;1-10(2)15-13-7-14(9-17-12(5)6)16(8-13)11(3)4/h24-28,30-31,35H,9-23H2,1-8H3,(H,34,39);25-27,29,32H,8-24H2,1-7H3;19-30H,11-18H2,1-10H3,(H,33,34)(H,35,36);20-23,25H,7-19H2,1-6H3;20-25H,7-19H2,1-6H3;10-15H,7-9H2,1-6H3/t28-,30+,31+;29-,32+;24-,25+,26+,27-,28?;23-,25+;23-,24+,25?;13-,14+/m00.001/s1.
What are the key properties of 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione?
1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione has a molecular weight of 3034.41 g/mol, XLogP of 30.76, 111 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;(2R)-N-[4,11-dioxo-11-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]undecyl]-6-methyl-2-(propan-2-ylamino)heptanamide;(3R,5S)-N,1-di(propan-2-yl)-5-(propan-2-yloxymethyl)pyrrolidin-3-amine;[3-[hydroxy-[[(2S,4R)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methoxy]phosphoryl]oxy-2-propan-2-yloxypropyl] [(2R,4S)-1-propan-2-yl-4-(propan-2-ylamino)pyrrolidin-2-yl]methyl hydrogen phosphate;2-methyl-11-[[4-oxo-4-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]butyl]disulfanyl]undecane-3,8-dione;13-methyl-1-[(2R,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)cyclopentyl]tetradecane-1,12-dione is sourced from PubChem (CID 162070626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).