ethyl (2S)-2-[[(2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(2S)-1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-1-[(2S)-3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(C)CSC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)CSC(=O)C

InChI

InChI=1S/C22H30N2O5S/c1-4-29-22(28)18(13-17-9-6-5-7-10-17)23-20(26)19-11-8-12-24(19)21(27)15(2)14-30-16(3)25/h5-7,9-10,15,18-19H,4,8,11-14H2,1-3H3,(H,23,26)/t15-,18+,19+/m1/s1