[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate

C67H60N4O5S3 — CID 138708240

IUPAC[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C67H60N4O5S3/c68-61(72)58(46-77-65(49-28-10-1-11-29-49,50-30-12-2-13-31-50)51-32-14-3-15-33-51)70-62(73)59(47-78-66(52-34-16-4-17-35-52,53-36-18-5-19-37-53)54-38-20-6-21-39-54)71-63(74)60(76-64(69)75)48-79-67(55-40-22-7-23-41-55,56-42-24-8-25-43-56)57-44-26-9-27-45-57/h1-45,58-60H,46-48H2,(H2,68,72)(H2,69,75)(H,70,73)(H,71,74)/t58-,59-,60-/m0/s1
InChIKeyGIRVPELMMKOPJJ-RATTXREYSA-N
MW1097.44 g/mol
LogP12.08
Rot. Bonds24

About [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate

[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate (PubChem CID 138708240) has the molecular formula C67H60N4O5S3 and a molecular weight of 1097.44 g/mol. Its IUPAC name is [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate
PubChem CID138708240
Molecular FormulaC67H60N4O5S3
Molecular Weight1097.44 g/mol
Exact Mass1096.37
IUPAC Name[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C67H60N4O5S3/c68-61(72)58(46-77-65(49-28-10-1-11-29-49,50-30-12-2-13-31-50)51-32-14-3-15-33-51)70-62(73)59(47-78-66(52-34-16-4-17-35-52,53-36-18-5-19-37-53)54-38-20-6-21-39-54)71-63(74)60(76-64(69)75)48-79-67(55-40-22-7-23-41-55,56-42-24-8-25-43-56)57-44-26-9-27-45-57/h1-45,58-60H,46-48H2,(H2,68,72)(H2,69,75)(H,70,73)(H,71,74)/t58-,59-,60-/m0/s1
InChIKeyGIRVPELMMKOPJJ-RATTXREYSA-N
XLogP12.08
TPSA153.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.44
LogP ≤ 512.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate with MolForge

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Launch Full Analysis

Related Compounds

[1-[[1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate
CID 138708247
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]-3-tritylsulfanylpropanamide
CID 138708285
2-methylpropyl 2-acetamido-3-tritylsulfanylpropanoate
CID 167031344
9H-fluoren-9-ylmethyl 8-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-8-oxooctanoate
CID 149356051
methyl (2R)-2-(3-methylbut-2-enoylamino)-3-tritylsulfanylpropanoate
CID 11419785
methyl-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]carbamic acid
CID 138708303
methyl (2R)-2-acetamido-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
CID 25014751
ethyl 2-[[(2S)-3-benzylsulfanyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]acetate
CID 99658210
2,6-diamino-N-[1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]hexanamide
CID 171410662
2-(2-acetamido-3-tritylsulfanylpropanoyl)oxyethyl-trimethylazanium
CID 67441878
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
CID 170847509
diethyl (2R)-2-[[(2R)-2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanedioate
CID 99653819

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate?
The IUPAC name of [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate (CID 138708240) is [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate is NC(=O)O[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O.
What is the InChIKey of [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate?
The InChIKey is GIRVPELMMKOPJJ-RATTXREYSA-N. The full InChI is InChI=1S/C67H60N4O5S3/c68-61(72)58(46-77-65(49-28-10-1-11-29-49,50-30-12-2-13-31-50)51-32-14-3-15-33-51)70-62(73)59(47-78-66(52-34-16-4-17-35-52,53-36-18-5-19-37-53)54-38-20-6-21-39-54)71-63(74)60(76-64(69)75)48-79-67(55-40-22-7-23-41-55,56-42-24-8-25-43-56)57-44-26-9-27-45-57/h1-45,58-60H,46-48H2,(H2,68,72)(H2,69,75)(H,70,73)(H,71,74)/t58-,59-,60-/m0/s1.
What are the key properties of [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate?
[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate has a molecular weight of 1097.44 g/mol, XLogP of 12.08, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-1-oxo-3-tritylsulfanylpropan-2-yl] carbamate is sourced from PubChem (CID 138708240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).