methyl (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoyl]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]-4-methyl-pentanoyl]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]-4-methyl-pentanoyl]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]-4-methyl-1-oxopentyl]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]-4-methylpentanoyl]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]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoic acid methyl ester Formula: C33H48N6O5 MolecularWeight: 608.77142

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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(CC(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](CC(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C

InChI

InChI=1S/C33H48N6O5/c1-7-8-15-26(32(42)44-6)36-31(41)28(18-24-23-14-9-10-16-25(23)35-29(24)19-34)37-30(40)27(17-20(2)3)38-33(43)39-21(4)12-11-13-22(39)5/h9-10,14,16,20-22,26-28,35H,7-8,11-13,15,17-18H2,1-6H3,(H,36,41)(H,37,40)(H,38,43)/t21-,22+,26-,27+,28-/m1/s1