(3S)-5,5-bis(fluoranyl)-3-[[(2S)-2-[[(2S)-2-[(4-methoxycarbonylphenyl)methoxyamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5,5-bis(fluoranyl)-3-[[(2S)-2-[[(2S)-2-[(4-methoxycarbonylphenyl)methoxyamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-pentanoic acid Openeye Name: (3S)-5,5-difluoro-3-[[(2S)-2-[[(2S)-2-[(4-methoxycarbonylphenyl)methoxyamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-pentanoic acid CAS Name: (3S)-5,5-difluoro-3-[[(2S)-2-[[(2S)-2-[(4-methoxycarbonylphenyl)methoxyamino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-2-oxopentanoic acid IUPAC Name: (3S)-5,5-difluoro-3-[[(2S)-2-[[(2S)-2-[(4-methoxycarbonylphenyl)methoxyamino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-oxopentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[(4-carbomethoxybenzyl)oxyamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-keto-valeric acid Formula: C26H37F2N3O8 MolecularWeight: 557.584086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(F)F)C(=O)C(=O)O)NOCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)O)NOCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C26H37F2N3O8/c1-6-15(4)21(31-39-13-16-7-9-17(10-8-16)26(37)38-5)24(34)30-19(11-14(2)3)23(33)29-18(12-20(27)28)22(32)25(35)36/h7-10,14-15,18-21,31H,6,11-13H2,1-5H3,(H,29,33)(H,30,34)(H,35,36)/t15?,18-,19-,21-/m0/s1