(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]amino]-2-oxidanylidene-ethyl]hexanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]amino]-2-oxidanylidene-ethyl]hexanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(phenethylamino)ethyl]amino]-2-oxo-ethyl]hexanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)propan-2-yl]amino]-2-oxoethyl]hexanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)propan-2-yl]amino]-2-oxoethyl]hexanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(phenethylamino)ethyl]amino]-2-keto-ethyl]hexanamide Formula: C36H44N6O5 MolecularWeight: 640.77176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCCC[C@@H](C(=O)NCC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C36H44N6O5/c1-2-3-12-31(42-34(45)29(37)20-25-14-16-27(43)17-15-25)35(46)40-23-33(44)41-32(21-26-22-39-30-13-8-7-11-28(26)30)36(47)38-19-18-24-9-5-4-6-10-24/h4-11,13-17,22,29,31-32,39,43H,2-3,12,18-21,23,37H2,1H3,(H,38,47)(H,40,46)(H,41,44)(H,42,45)/t29-,31-,32+/m0/s1