methyl (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoate

Systemtic Name: methyl (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoate Openeye Name: methyl (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoate CAS Name: (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[[(2S,6R)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoate Traditional Name: (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoic acid methyl ester Formula: C32H46N6O5 MolecularWeight: 594.74484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C(CC1=C(NC2=CC=CC=C21)C#N)NC(=O)C(C(C)C)NC(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCC[C@H](C(=O)OC)NC(=O)[C@@H](CC1=C(NC2=CC=CC=C21)C#N)NC(=O)[C@H](C(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C

InChI

InChI=1S/C32H46N6O5/c1-7-8-15-25(31(41)43-6)35-29(39)26(17-23-22-14-9-10-16-24(22)34-27(23)18-33)36-30(40)28(19(2)3)37-32(42)38-20(4)12-11-13-21(38)5/h9-10,14,16,19-21,25-26,28,34H,7-8,11-13,15,17H2,1-6H3,(H,35,39)(H,36,40)(H,37,42)/t20-,21+,25-,26-,28+/m1/s1