2-[[1-[2-[(2-azanyl-3-cyclohexyl-propanoyl)amino]-4-methyl-pentyl]-2-phenylmethoxycarbonyl-pyrrolidin-1-ium-1-yl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-cyclohexyl-propanoyl)amino]-4-methyl-pentyl]-2-phenylmethoxycarbonyl-pyrrolidin-1-ium-1-yl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[1-[2-[(2-amino-3-cyclohexyl-propanoyl)amino]-4-methyl-pentyl]-2-benzyloxycarbonyl-pyrrolidin-1-ium-1-yl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[1-[2-[(2-amino-3-cyclohexyl-1-oxopropyl)amino]-4-methylpentyl]-2-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-cyclohexylpropanoyl)amino]-4-methylpentyl]-2-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl]amino]-3-methylpentanoic acid Traditional Name: 2-[[1-[2-[(2-amino-3-cyclohexyl-propanoyl)amino]-4-methyl-pentyl]-2-carbobenzoxy-pyrrolidin-1-ium-1-yl]amino]-3-methyl-valeric acid Formula: C33H55N4O5+ MolecularWeight: 587.8136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N[N+]1(CCCC1C(=O)OCC2=CC=CC=C2)CC(CC(C)C)NC(=O)C(CC3CCCCC3)N

Isomeric SMILES

CCC(C)C(C(=O)O)N[N+]1(CCCC1C(=O)OCC2=CC=CC=C2)CC(CC(C)C)NC(=O)C(CC3CCCCC3)N

InChI

InChI=1S/C33H54N4O5/c1-5-24(4)30(32(39)40)36-37(18-12-17-29(37)33(41)42-22-26-15-10-7-11-16-26)21-27(19-23(2)3)35-31(38)28(34)20-25-13-8-6-9-14-25/h7,10-11,15-16,23-25,27-30,36H,5-6,8-9,12-14,17-22,34H2,1-4H3,(H-,35,38,39,40)/p+1