methyl (2S)-2-[[(2S)-2-azanyl-5-(3-fluorophenyl)pent-4-ynoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-5-(3-fluorophenyl)pent-4-ynoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)pent-4-ynoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)-1-oxopent-4-ynyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)pent-4-ynoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-5-(3-fluorophenyl)pent-4-ynoyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H23FN2O3 MolecularWeight: 334.385223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC#CC1=CC(=CC=C1)F)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC#CC1=CC(=CC=C1)F)N

InChI

InChI=1S/C18H23FN2O3/c1-12(2)10-16(18(23)24-3)21-17(22)15(20)9-5-7-13-6-4-8-14(19)11-13/h4,6,8,11-12,15-16H,9-10,20H2,1-3H3,(H,21,22)/t15-,16-/m0/s1