[2-azanyl-3-(7-phenylmethoxy-1H-indol-3-yl)propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanyl-propanoate

Systemtic Name: [2-azanyl-3-(7-phenylmethoxy-1H-indol-3-yl)propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanyl-propanoate Openeye Name: [2-amino-3-(7-benzyloxy-1H-indol-3-yl)propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanyl-propanoate CAS Name: 2-[(3-bromophenyl)methyl]-3-mercaptopropanoic acid [2-amino-1-oxo-3-(7-phenylmethoxy-1H-indol-3-yl)propyl] ester IUPAC Name: [2-amino-3-(7-phenylmethoxy-1H-indol-3-yl)propanoyl] 2-[(3-bromophenyl)methyl]-3-sulfanylpropanoate Traditional Name: 2-(3-bromobenzyl)-3-mercapto-propionic acid [2-amino-3-(7-benzoxy-1H-indol-3-yl)propanoyl] ester Formula: C28H27BrN2O4S MolecularWeight: 567.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3CC(C(=O)OC(=O)C(CC4=CC(=CC=C4)Br)CS)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3CC(C(=O)OC(=O)C(CC4=CC(=CC=C4)Br)CS)N

InChI

InChI=1S/C28H27BrN2O4S/c29-22-9-4-8-19(13-22)12-21(17-36)27(32)35-28(33)24(30)14-20-15-31-26-23(20)10-5-11-25(26)34-16-18-6-2-1-3-7-18/h1-11,13,15,21,24,31,36H,12,14,16-17,30H2