propan-2-yl (2R,3S)-4-cyclohexyl-3-[[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propan-2-yl]amino]-2-oxidanyl-butanoate

Systemtic Name: propan-2-yl (2R,3S)-4-cyclohexyl-3-[[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propan-2-yl]amino]-2-oxidanyl-butanoate Openeye Name: isopropyl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(1R)-1-(methylsulfanylmethyl)-2-oxo-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]ethyl]amino]butanoate CAS Name: (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-(methylthio)-1-oxo-1-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]propan-2-yl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-1-oxo-1-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propan-2-yl]amino]butanoate Traditional Name: (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(1R)-2-keto-1-[(methylthio)methyl]-2-[[(2S)-3-phenyl-2-[[(2S)-prolyl]amino]propanoyl]amino]ethyl]amino]butyric acid isopropyl ester Formula: C31H48N4O6S MolecularWeight: 604.80102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C(CC1CCCCC1)NC(CSC)C(=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3)O

Isomeric SMILES

CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N[C@@H](CSC)C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3)O

InChI

InChI=1S/C31H48N4O6S/c1-20(2)41-31(40)27(36)24(17-21-11-6-4-7-12-21)33-26(19-42-3)30(39)35-29(38)25(18-22-13-8-5-9-14-22)34-28(37)23-15-10-16-32-23/h5,8-9,13-14,20-21,23-27,32-33,36H,4,6-7,10-12,15-19H2,1-3H3,(H,34,37)(H,35,38,39)/t23-,24-,25-,26-,27+/m0/s1