CID 11355379

C64H73ClF6N5O13PRuSi+ — CID 11355379

IUPAC—
SMILESCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cc(OC)c(C)c(OCc2ccccc2)c1)c1cc(O)c(OC)c(O)c1)c1ccc(OC)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C59H68ClN5O13Si.C5H5.F6P.Ru/c1-35-46(74-7)31-41(32-47(35)76-33-36-17-13-11-14-18-36)50(65-58(72)77-34-37-19-15-12-16-20-37)57(71)63-49(40-29-44(66)53(75-8)45(67)30-40)56(70)62-48(38-23-27-43(73-6)28-24-38)55(69)64-51(54(68)61-5)52(39-21-25-42(60)26-22-39)78-79(9,10)59(2,3)4;1-2-4-5-3-1;1-7(2,3,4,5)6;/h11-32,48-52,66-67H,33-34H2,1-10H3,(H,61,68)(H,62,70)(H,63,71)(H,64,69)(H,65,72);1-5H;;/q;;-1;+2/t48-,49-,50+,51+,52-;;;/m1.../s1
InChIKeyNGPSAPCWFGJADJ-MGMXPSTMSA-N
MW1429.88 g/mol
LogP13.74
Rot. Bonds23

About CID 11355379

CID 11355379 (PubChem CID 11355379) has the molecular formula C64H73ClF6N5O13PRuSi+ and a molecular weight of 1429.88 g/mol.

Molecular Properties

Compound NameCID 11355379
PubChem CID11355379
Molecular FormulaC64H73ClF6N5O13PRuSi+
Molecular Weight1429.88 g/mol
Exact Mass1429.33
IUPAC Name—
SMILESCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cc(OC)c(C)c(OCc2ccccc2)c1)c1cc(O)c(OC)c(O)c1)c1ccc(OC)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C59H68ClN5O13Si.C5H5.F6P.Ru/c1-35-46(74-7)31-41(32-47(35)76-33-36-17-13-11-14-18-36)50(65-58(72)77-34-37-19-15-12-16-20-37)57(71)63-49(40-29-44(66)53(75-8)45(67)30-40)56(70)62-48(38-23-27-43(73-6)28-24-38)55(69)64-51(54(68)61-5)52(39-21-25-42(60)26-22-39)78-79(9,10)59(2,3)4;1-2-4-5-3-1;1-7(2,3,4,5)6;/h11-32,48-52,66-67H,33-34H2,1-10H3,(H,61,68)(H,62,70)(H,63,71)(H,64,69)(H,65,72);1-5H;;/q;;-1;+2/t48-,49-,50+,51+,52-;;;/m1.../s1
InChIKeyNGPSAPCWFGJADJ-MGMXPSTMSA-N
XLogP13.74
TPSA241.34 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001429.88
LogP ≤ 513.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1S)-2-[[(1R)-1-(3,5-dihydroxy-4-methoxyphenyl)-2-(methylamino)-2-oxoethyl]amino]-1-(3-methoxy-4-methyl-5-phenylmethoxyphenyl)-2-oxoethyl]carbamate
CID 11181274
methyl (2S)-3-(4-chlorophenyl)-2-[[(2R)-2-[[(2R)-2-(3,5-dihydroxy-4-methoxyphenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]acetyl]amino]-2-phenylacetyl]amino]propanoate
CID 10876879
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]carbamate
CID 150347845
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
(2R)-2-[4-methoxy-3-[3-methoxy-5-[(1S)-2-methoxy-2-oxo-1-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]-2-methylphenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 10417814
2-(3-chloro-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103690041
2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 18661070
(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-(3,5-dimethoxy-4-methylphenyl)methyl]-6-phenylhexanoic acid
CID 66862880
2-methoxyethoxymethyl (2R)-2-[[(2S)-2-[4-methoxy-3-[3-methoxy-5-[(1S)-2-methoxy-2-oxo-1-(phenylmethoxycarbonylamino)ethyl]-2-methylphenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylpropanoate
CID 10260066
methyl (2S)-3-methyl-2-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 134817279
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
methyl 2-[(3,4-dimethoxyphenyl)-(phenylmethoxycarbonylamino)methyl]prop-2-enoate
CID 102577181

Frequently Asked Questions

What is the IUPAC name of CID 11355379?
The IUPAC name of CID 11355379 (CID 11355379) is not available.
What is the SMILES notation for CID 11355379?
The canonical SMILES for CID 11355379 is CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cc(OC)c(C)c(OCc2ccccc2)c1)c1cc(O)c(OC)c(O)c1)c1ccc(OC)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Ru+2].
What is the InChIKey of CID 11355379?
The InChIKey is NGPSAPCWFGJADJ-MGMXPSTMSA-N. The full InChI is InChI=1S/C59H68ClN5O13Si.C5H5.F6P.Ru/c1-35-46(74-7)31-41(32-47(35)76-33-36-17-13-11-14-18-36)50(65-58(72)77-34-37-19-15-12-16-20-37)57(71)63-49(40-29-44(66)53(75-8)45(67)30-40)56(70)62-48(38-23-27-43(73-6)28-24-38)55(69)64-51(54(68)61-5)52(39-21-25-42(60)26-22-39)78-79(9,10)59(2,3)4;1-2-4-5-3-1;1-7(2,3,4,5)6;/h11-32,48-52,66-67H,33-34H2,1-10H3,(H,61,68)(H,62,70)(H,63,71)(H,64,69)(H,65,72);1-5H;;/q;;-1;+2/t48-,49-,50+,51+,52-;;;/m1.../s1.
What are the key properties of CID 11355379?
CID 11355379 has a molecular weight of 1429.88 g/mol, XLogP of 13.74, 23 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11355379 is sourced from PubChem (CID 11355379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).