4-Thiazolidinecarboxamide, N,N-dimethylglycyl-3-(1-naphthalenyl)-L-alanyl-N-methyl-L-valyl-(alphaS,betaS)-beta-amino-alpha-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-, (4R)-

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Basic information

CAS: 185567-09-3
Standard SMILES: CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)N(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN(C)C
InChIKey: BSPVTEQTWDQESF-VTDRKZPZSA-N
Molecular formula: C41H56N6O6S
Average molar mass: 761 g/mol
Monoisotopic mass: 760.3982047

Names & identifiers

Preferred name: 4-Thiazolidinecarboxamide, N,N-dimethylglycyl-3-(1-naphthalenyl)-L-alanyl-N-methyl-L-valyl-(alphaS,betaS)-beta-amino-alpha-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-, (4R)-
IUPAC: (4R)-N-tert-butyl-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-naphthalen-1-ylpropanoyl]-methylamino]-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide

Names & synonyms

185567-09-34-Thiazolidinecarboxamide, N,N-dimethylglycyl-3-(1-naphthalenyl)-L-alanyl-N-methyl-L-valyl-(alphaS,betaS)-beta-amino-alpha-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-, (4R)-DTXSID30171792(4R)-N-tert-butyl-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-(1-naphthyl)propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]thiazolidine-4-carboxamide4-Thiazolidinecarboxamide, N,N-dimethylglycyl-3-(1-naphthalenyl)-L-alanyl-N-methyl-L-valyl-(.alpha.S,.beta.S)-.beta.-amino-.alpha.-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-, (4R)-N,N-Dimethylglycyl-3-(naphthalen-1-yl)-L-alanyl-N-{(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-N~2~-methyl-L-valinamide

Database identifiers

CAS: 185567-09-3
PubChem CID: 459406
DTXSID: DTXSID30171792

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 177 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 54
Formal charge: 0
Complexity: 1,280

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Compound notes

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