(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-6-(3-methylphenyl)-4-oxidanylidene-hexanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-6-(3-methylphenyl)-4-oxidanylidene-hexanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-6-(m-tolyl)-4-oxo-hexanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-6-(3-methylphenyl)-4-oxohexanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-6-(3-methylphenyl)-4-oxohexanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-6-(m-tolyl)hexanoic acid Formula: C29H40N4O11 MolecularWeight: 620.6481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C29H40N4O11/c1-15(2)26(29(44)32-20(13-24(38)39)22(35)10-8-18-7-5-6-16(3)12-18)33-27(42)19(9-11-23(36)37)31-28(43)21(14-25(40)41)30-17(4)34/h5-7,12,15,19-21,26H,8-11,13-14H2,1-4H3,(H,30,34)(H,31,43)(H,32,44)(H,33,42)(H,36,37)(H,38,39)(H,40,41)/t19-,20-,21-,26-/m0/s1