ethyl 2-[(3S,7R)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-7-methyl-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3S,7R)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-7-methyl-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: ethyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-7-methyl-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-7-methyl-2-oxo-1-azepanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-7-methyl-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-2-keto-7-methyl-azepan-1-yl]acetic acid ethyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(CCCC(C1=O)NC(=O)C(CC2=CC=CC=C2)SC(=O)C)C

Isomeric SMILES

CCOC(=O)CN1[C@@H](CCC[C@@H](C1=O)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C)C

InChI

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