methyl (2S)-2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C17H21N5O3S/c1-25-16(24)13(9-11-5-3-2-4-6-11)19-14(23)10-26-17-21-20-15(22(17)18)12-7-8-12/h2-6,12-13H,7-10,18H2,1H3,(H,19,23)/t13-/m0/s1