4,8-bis(azanyl)-2-[2,3-dihydro-1H-inden-2-yl-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6-oxidanyl-3-oxidanylidene-octanoic acid

Systemtic Name: 4,8-bis(azanyl)-2-[2,3-dihydro-1H-inden-2-yl-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6-oxidanyl-3-oxidanylidene-octanoic acid Openeye Name: 4,8-diamino-2-[(1-carboxy-3-phenyl-propyl)-indan-2-yl-amino]-6-hydroxy-3-oxo-octanoic acid CAS Name: 4,8-diamino-2-[2,3-dihydro-1H-inden-2-yl-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-6-hydroxy-3-oxooctanoic acid IUPAC Name: 4,8-diamino-2-[2,3-dihydro-1H-inden-2-yl-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-6-hydroxy-3-oxooctanoic acid Traditional Name: 4,8-diamino-2-[(1-carboxy-3-phenyl-propyl)-indan-2-yl-amino]-6-hydroxy-3-keto-caprylic acid Formula: C27H35N3O6 MolecularWeight: 497.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)N(C(CCC3=CC=CC=C3)C(=O)O)C(C(=O)C(CC(CCN)O)N)C(=O)O

Isomeric SMILES

C1C(CC2=CC=CC=C21)N(C(CCC3=CC=CC=C3)C(=O)O)C(C(=O)C(CC(CCN)O)N)C(=O)O

InChI

InChI=1S/C27H35N3O6/c28-13-12-21(31)16-22(29)25(32)24(27(35)36)30(20-14-18-8-4-5-9-19(18)15-20)23(26(33)34)11-10-17-6-2-1-3-7-17/h1-9,20-24,31H,10-16,28-29H2,(H,33,34)(H,35,36)