2-(3-azanylpropanoylamino)-N-[(1R)-1-[5-bromanyl-1-(phenylmethyl)benzimidazol-2-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: 2-(3-azanylpropanoylamino)-N-[(1R)-1-[5-bromanyl-1-(phenylmethyl)benzimidazol-2-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: 2-(3-aminopropanoylamino)-N-[(1R)-1-(1-benzyl-5-bromo-benzimidazol-2-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: 2-[(3-amino-1-oxopropyl)amino]-N-[(1R)-1-[5-bromo-1-(phenylmethyl)-2-benzimidazolyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: 2-(3-aminopropanoylamino)-N-[(1R)-1-(1-benzyl-5-bromobenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: 2-(3-aminopropanoylamino)-N-[(1R)-1-(1-benzyl-5-bromo-benzimidazol-2-yl)-2-methyl-propyl]-4-methyl-benzamide Formula: C29H32BrN5O2 MolecularWeight: 562.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Br)C(C)C)NC(=O)CCN

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N[C@@H](C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Br)C(C)C)NC(=O)CCN

InChI

InChI=1S/C29H32BrN5O2/c1-18(2)27(34-29(37)22-11-9-19(3)15-23(22)32-26(36)13-14-31)28-33-24-16-21(30)10-12-25(24)35(28)17-20-7-5-4-6-8-20/h4-12,15-16,18,27H,13-14,17,31H2,1-3H3,(H,32,36)(H,34,37)/t27-/m1/s1