propan-2-yl (2S)-2-[2-[[(2S)-1-[3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl (2S)-2-[2-[[(2S)-1-[3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl (2S)-2-[[2-[[(2S)-1-[3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[(2S)-1-[3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]methyl-[(2-methoxyphenyl)methyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[[2-[[(2S)-1-[3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl-[(2-methoxyphenyl)methyl]amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[[(2S)-1-[3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl-o-anisyl-amino]acetyl]amino]-4-(methylthio)butyric acid isopropyl ester Formula: C29H43N5O5S MolecularWeight: 573.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)CN(CC1CCCN1C(=O)CCC2=CN=CN2)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)OC(=O)[C@H](CCSC)NC(=O)CN(C[C@@H]1CCCN1C(=O)CCC2=CN=CN2)CC3=CC=CC=C3OC

InChI

InChI=1S/C29H43N5O5S/c1-21(2)39-29(37)25(13-15-40-4)32-27(35)19-33(17-22-8-5-6-10-26(22)38-3)18-24-9-7-14-34(24)28(36)12-11-23-16-30-20-31-23/h5-6,8,10,16,20-21,24-25H,7,9,11-15,17-19H2,1-4H3,(H,30,31)(H,32,35)/t24-,25-/m0/s1