(2R)-2-[[(2S)-2-[[(2R)-2-[[3-(1H-indol-3-yl)-2-oxidanylidene-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[3-(1H-indol-3-yl)-2-oxidanylidene-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[3-(1H-indol-3-yl)-2-oxo-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[3-(1H-indol-3-yl)-1,2-dioxopropyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[3-(1H-indol-3-yl)-2-oxopropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[3-(1H-indol-3-yl)-2-keto-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C28H40N4O6 MolecularWeight: 528.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(=O)CC1=CNC2=CC=CC=C21

Isomeric SMILES

CCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)O)NC(=O)C(=O)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C28H40N4O6/c1-6-7-11-21(30-27(36)23(33)14-18-15-29-20-12-9-8-10-19(18)20)25(34)31-22(13-16(2)3)26(35)32-24(17(4)5)28(37)38/h8-10,12,15-17,21-22,24,29H,6-7,11,13-14H2,1-5H3,(H,30,36)(H,31,34)(H,32,35)(H,37,38)/t21-,22+,24-/m1/s1