(2R)-6-azanyl-2-[[3-(2,4-dichlorophenyl)carbonyl-4-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]amino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[[3-(2,4-dichlorophenyl)carbonyl-4-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]amino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[4-[(benzylamino)methyl]-3-(2,4-dichlorobenzoyl)-3,4-dihydro-1H-isoquinolin-2-yl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[3-[(2,4-dichlorophenyl)-oxomethyl]-4-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[4-[(benzylamino)methyl]-3-(2,4-dichlorobenzoyl)-3,4-dihydro-1H-isoquinolin-2-yl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[4-[(benzylamino)methyl]-3-(2,4-dichlorobenzoyl)-3,4-dihydro-1H-isoquinolin-2-yl]amino]hexanoic acid Formula: C30H34Cl2N4O3 MolecularWeight: 569.52196

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C(N1NC(CCCCN)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl)CNCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C(N1N[C@H](CCCCN)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl)CNCC4=CC=CC=C4

InChI

InChI=1S/C30H34Cl2N4O3/c31-22-13-14-24(26(32)16-22)29(37)28-25(18-34-17-20-8-2-1-3-9-20)23-11-5-4-10-21(23)19-36(28)35-27(30(38)39)12-6-7-15-33/h1-5,8-11,13-14,16,25,27-28,34-35H,6-7,12,15,17-19,33H2,(H,38,39)/t25?,27-,28?/m1/s1