methyl (2S)-2-[[2-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]pyrazolidin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]pyrazolidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]pyrazolidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]-1-pyrazolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(2S)-2-formamido-4-methylsulfanylbutanoyl]pyrazolidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(2S)-2-formamido-4-(methylthio)butanoyl]pyrazolidine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCCN2C(=O)C(CCSC)NC=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCCN2C(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C20H28N4O5S/c1-29-19(27)17(13-15-7-4-3-5-8-15)22-20(28)24-11-6-10-23(24)18(26)16(21-14-25)9-12-30-2/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H,21,25)(H,22,28)/t16-,17-/m0/s1