(4S)-4-[[(2S)-2-acetamido-4-(4-hydroxyphenyl)butanoyl]amino]-5-[[(2S)-1-[[(1S)-1-cyano-4-oxidanyl-4-oxidanylidene-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-4-(4-hydroxyphenyl)butanoyl]amino]-5-[[(2S)-1-[[(1S)-1-cyano-4-oxidanyl-4-oxidanylidene-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-4-(4-hydroxyphenyl)butanoyl]amino]-5-[[(1S)-1-[[(1S)-1-cyano-4-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-4-(4-hydroxyphenyl)-1-oxobutyl]amino]-5-[[(2S)-1-[[(1S)-1-cyano-4-hydroxy-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-4-(4-hydroxyphenyl)butanoyl]amino]-5-[[(2S)-1-[[(1S)-1-cyano-4-hydroxy-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-4-(4-hydroxyphenyl)butanoyl]amino]-5-[[(1S)-1-[[(1S)-1-cyano-4-hydroxy-4-keto-butyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C27H37N5O9 MolecularWeight: 575.61078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC(=O)O)C#N)NC(=O)C(CCC(=O)O)NC(=O)C(CCC1=CC=C(C=C1)O)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C#N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C27H37N5O9/c1-15(2)24(27(41)30-18(14-28)7-12-22(35)36)32-26(40)21(11-13-23(37)38)31-25(39)20(29-16(3)33)10-6-17-4-8-19(34)9-5-17/h4-5,8-9,15,18,20-21,24,34H,6-7,10-13H2,1-3H3,(H,29,33)(H,30,41)(H,31,39)(H,32,40)(H,35,36)(H,37,38)/t18-,20-,21-,24-/m0/s1