propan-2-yl 2-[[2-[(3S)-2-azanyl-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoate

Systemtic Name: propan-2-yl 2-[[2-[(3S)-2-azanyl-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoate Openeye Name: isopropyl 2-[[2-[(3S)-2-amino-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[2-[(3S)-2-amino-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[(3S)-2-amino-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoate Traditional Name: 2-[[2-[(3S)-2-amino-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-mesyl-butyric acid isopropyl ester Formula: C23H38N2O6S MolecularWeight: 470.62262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OC(C)C)N

Isomeric SMILES

CC[C@H](C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OC(C)C)N

InChI

InChI=1S/C23H38N2O6S/c1-6-17(4)19(24)15-30-21(14-18-10-8-7-9-11-18)22(26)25-20(12-13-32(5,28)29)23(27)31-16(2)3/h7-11,16-17,19-21H,6,12-15,24H2,1-5H3,(H,25,26)/t17-,19?,20?,21?/m0/s1