[4-[[2-[(2S)-2-azanyl-4-phenyl-butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenyl]methyl-tributyl-phosphanium

Systemtic Name: [4-[[2-[(2S)-2-azanyl-4-phenyl-butanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenyl]methyl-tributyl-phosphanium Openeye Name: [4-[[2-[(2S)-2-amino-4-phenyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl-tributyl-phosphonium CAS Name: [4-[[[2-[(2S)-2-amino-1-oxo-4-phenylbutyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]phenyl]methyl-tributylphosphonium IUPAC Name: [4-[[2-[(2S)-2-amino-4-phenylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl-tributylphosphanium Traditional Name: [4-[[2-[(2S)-2-amino-4-phenyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzyl]-tributyl-phosphonium Formula: C39H55N3O2P+ MolecularWeight: 628.846661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C(CCC4=CC=CC=C4)N

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)[C@H](CCC4=CC=CC=C4)N

InChI

InChI=1S/C39H54N3O2P/c1-4-7-25-45(26-8-5-2,27-9-6-3)30-32-19-22-35(23-20-32)41-38(43)37-28-33-17-13-14-18-34(33)29-42(37)39(44)36(40)24-21-31-15-11-10-12-16-31/h10-20,22-23,36-37H,4-9,21,24-30,40H2,1-3H3/p+1/t36-,37?/m0/s1