[2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenoxy]methyl (2S,3S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenoxy]methyl (2S,3S)-2-azanyl-3-methyl-pentanoate Openeye Name: [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenoxy]methyl (2S,3S)-2-amino-3-methyl-pentanoate CAS Name: (2S,3S)-2-amino-3-methylpentanoic acid [2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenoxy]methyl ester IUPAC Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenoxy]methyl (2S,3S)-2-amino-3-methylpentanoate Traditional Name: (2S,3S)-2-amino-3-methyl-valeric acid [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenoxy]methyl ester Formula: C26H30FN5O5 MolecularWeight: 511.545303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCOC1=C(C=CC(=C1C2CC2NC(=O)NC3=NC=C(C=C3)C#N)F)C(=O)CC)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCOC1=C(C=CC(=C1C2CC2NC(=O)NC3=NC=C(C=C3)C#N)F)C(=O)CC)N

InChI

InChI=1S/C26H30FN5O5/c1-4-14(3)23(29)25(34)37-13-36-24-16(20(33)5-2)7-8-18(27)22(24)17-10-19(17)31-26(35)32-21-9-6-15(11-28)12-30-21/h6-9,12,14,17,19,23H,4-5,10,13,29H2,1-3H3,(H2,30,31,32,35)/t14-,17?,19?,23-/m0/s1