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

Systemtic Name: methyl 2-[(3S,7R)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-7-prop-2-enyl-azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-7-allyl-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-7-prop-2-enyl-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-oxo-7-prop-2-enylazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-7-allyl-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCCC(N(C2=O)CC(=O)OC)CC=C

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCC[C@@H](N(C2=O)CC(=O)OC)CC=C

InChI

InChI=1S/C23H30N2O5S/c1-4-9-18-12-8-13-19(23(29)25(18)15-21(27)30-3)24-22(28)20(31-16(2)26)14-17-10-6-5-7-11-17/h4-7,10-11,18-20H,1,8-9,12-15H2,2-3H3,(H,24,28)/t18-,19-,20-/m0/s1