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

Systemtic Name: 8-azanyl-2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]octanoic acid Openeye Name: 8-amino-4-[(1-carboxy-3-phenyl-propyl)amino]-2-[(indan-2-ylamino)methyl]-3-oxo-octanoic acid CAS Name: 8-amino-2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-3-oxooctanoic acid IUPAC Name: 8-amino-2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-3-oxooctanoic acid Traditional Name: 8-amino-4-[(1-carboxy-3-phenyl-propyl)amino]-2-[(indan-2-ylamino)methyl]-3-keto-caprylic acid Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)NCC(C(=O)C(CCCCN)NC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(CC2=CC=CC=C21)NCC(C(=O)C(CCCCN)NC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C28H37N3O5/c29-15-7-6-12-24(31-25(28(35)36)14-13-19-8-2-1-3-9-19)26(32)23(27(33)34)18-30-22-16-20-10-4-5-11-21(20)17-22/h1-5,8-11,22-25,30-31H,6-7,12-18,29H2,(H,33,34)(H,35,36)