(4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-phenyl-propanoyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-phenyl-propanoyl]-1,3-thiazolidine-4-carboxamide Openeye Name: (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-2-oxo-ethyl]amino]-3-phenyl-propanoyl]thiazolidine-4-carboxamide CAS Name: (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropyl]-4-thiazolidinecarboxamide IUPAC Name: (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-2-oxoethyl]amino]-3-phenylpropanoyl]-1,3-thiazolidine-4-carboxamide Traditional Name: (4R)-3-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-2-keto-ethyl]amino]-3-phenyl-propanoyl]thiazolidine-4-carboxamide Formula: C29H38N6O6S2 MolecularWeight: 630.77862

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(=O)CNC(CC1=CC=CC=C1)C(=O)N2CSCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CSCC[C@H](C(=O)NC(=O)CN[C@@H](CC1=CC=CC=C1)C(=O)N2CSC[C@H]2C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C29H38N6O6S2/c1-42-12-11-22(33-27(39)21(30)13-19-7-9-20(36)10-8-19)28(40)34-25(37)15-32-23(14-18-5-3-2-4-6-18)29(41)35-17-43-16-24(35)26(31)38/h2-10,21-24,32,36H,11-17,30H2,1H3,(H2,31,38)(H,33,39)(H,34,37,40)/t21-,22+,23-,24-/m0/s1