(2S)-N-[3,4-bis(oxidanylidene)-4-[[(1R)-1-phenylpropyl]amino]butan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-butanediamide

Systemtic Name: (2S)-N-[3,4-bis(oxidanylidene)-4-[[(1R)-1-phenylpropyl]amino]butan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-butanediamide Openeye Name: (2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-N-[1-methyl-2,3-dioxo-3-[[(1R)-1-phenylpropyl]amino]propyl]butanediamide CAS Name: (2S)-2-[[(2S)-2-[(3,3-dimethyl-1-oxobutyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-N-[3,4-dioxo-4-[[(1R)-1-phenylpropyl]amino]butan-2-yl]-N',N'-dimethylbutanediamide IUPAC Name: (2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-N-[3,4-dioxo-4-[[(1R)-1-phenylpropyl]amino]butan-2-yl]-N',N'-dimethylbutanediamide Traditional Name: (2S)-N-[2,3-diketo-1-methyl-3-[[(1R)-1-phenylpropyl]amino]propyl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-succinamide Formula: C31H49N5O6 MolecularWeight: 587.75066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)NC(=O)C(=O)C(C)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/C31H49N5O6/c1-11-21(20-15-13-12-14-16-20)33-28(41)25(39)19(2)32-27(40)22(17-24(38)36(9)10)34-29(42)26(31(6,7)8)35-23(37)18-30(3,4)5/h12-16,19,21-22,26H,11,17-18H2,1-10H3,(H,32,40)(H,33,41)(H,34,42)(H,35,37)/t19?,21-,22+,26-/m1/s1