methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(2-ethyl-1H-indol-3-yl)propanoyl]amino]hexanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(2-ethyl-1H-indol-3-yl)propanoyl]amino]hexanoate Openeye Name: methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(2-ethyl-1H-indol-3-yl)propanoyl]amino]hexanoate CAS Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[[(2S,6R)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(2-ethyl-1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]-3-(2-ethyl-1H-indol-3-yl)propanoyl]amino]hexanoate Traditional Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(2-ethyl-1H-indol-3-yl)propanoyl]amino]hexanoic acid methyl ester Formula: C34H53N5O5 MolecularWeight: 611.81512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H53N5O5/c1-8-10-17-28(33(42)44-7)36-32(41)30(20-25-24-16-11-12-18-27(24)35-26(25)9-2)37-31(40)29(19-21(3)4)38-34(43)39-22(5)14-13-15-23(39)6/h11-12,16,18,21-23,28-30,35H,8-10,13-15,17,19-20H2,1-7H3,(H,36,41)(H,37,40)(H,38,43)/t22-,23+,28-,29+,30-/m1/s1