(2S)-N-[(2S)-3,4-bis(oxidanylidene)-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-butanediamide

Systemtic Name: (2S)-N-[(2S)-3,4-bis(oxidanylidene)-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-butanediamide Openeye Name: (2S)-N-[(1S)-3-(benzylamino)-1-methyl-2,3-dioxo-propyl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-butanediamide CAS Name: (2S)-2-[[(2S)-2-[(3,3-dimethyl-1-oxobutyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-N-[(2S)-3,4-dioxo-4-[(phenylmethyl)amino]butan-2-yl]-N',N'-dimethylbutanediamide IUPAC Name: (2S)-N-[(2S)-4-(benzylamino)-3,4-dioxobutan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-N',N'-dimethylbutanediamide Traditional Name: (2S)-N-[(1S)-3-(benzylamino)-2,3-diketo-1-methyl-propyl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-succinamide Formula: C29H45N5O6 MolecularWeight: 559.6975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)C(CC(=O)N(C)C)NC(=O)C(C(C)(C)C)NC(=O)CC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C

InChI

InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18-,20-,24+/m0/s1