N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide

C27H26N6O6S — CID 46878625

IUPACN-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2)n1)N[C@@H](CO)C(=O)Nc1cncs1
InChIInChI=1S/C27H26N6O6S/c34-14-20(25(37)33-23-13-28-16-40-23)30-22(35)12-29-24(36)19(11-17-7-3-1-4-8-17)31-26(38)21-15-39-27(32-21)18-9-5-2-6-10-18/h1-10,13,15-16,19-20,34H,11-12,14H2,(H,29,36)(H,30,35)(H,31,38)(H,33,37)/t19-,20-/m0/s1
InChIKeyVPRPDMYBWSRTOR-PMACEKPBSA-N
MW562.61 g/mol
LogP1.37
Rot. Bonds12

About N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide

N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 46878625) has the molecular formula C27H26N6O6S and a molecular weight of 562.61 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID46878625
Molecular FormulaC27H26N6O6S
Molecular Weight562.61 g/mol
Exact Mass562.16
IUPAC NameN-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2)n1)N[C@@H](CO)C(=O)Nc1cncs1
InChIInChI=1S/C27H26N6O6S/c34-14-20(25(37)33-23-13-28-16-40-23)30-22(35)12-29-24(36)19(11-17-7-3-1-4-8-17)31-26(38)21-15-39-27(32-21)18-9-5-2-6-10-18/h1-10,13,15-16,19-20,34H,11-12,14H2,(H,29,36)(H,30,35)(H,31,38)(H,33,37)/t19-,20-/m0/s1
InChIKeyVPRPDMYBWSRTOR-PMACEKPBSA-N
XLogP1.37
TPSA175.55 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.61
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 46878625) is N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide is O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccccc2)n1)N[C@@H](CO)C(=O)Nc1cncs1.
What is the InChIKey of N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is VPRPDMYBWSRTOR-PMACEKPBSA-N. The full InChI is InChI=1S/C27H26N6O6S/c34-14-20(25(37)33-23-13-28-16-40-23)30-22(35)12-29-24(36)19(11-17-7-3-1-4-8-17)31-26(38)21-15-39-27(32-21)18-9-5-2-6-10-18/h1-10,13,15-16,19-20,34H,11-12,14H2,(H,29,36)(H,30,35)(H,31,38)(H,33,37)/t19-,20-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 562.61 g/mol, XLogP of 1.37, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-[[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-5-ylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46878625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).