2-[[1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[6-amino-2-(phenylalanylamino)hexanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C26H41N5O5 MolecularWeight: 503.63424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C26H41N5O5/c1-17(2)15-21(26(35)36)30-24(33)22-12-8-14-31(22)25(34)20(11-6-7-13-27)29-23(32)19(28)16-18-9-4-3-5-10-18/h3-5,9-10,17,19-22H,6-8,11-16,27-28H2,1-2H3,(H,29,32)(H,30,33)(H,35,36)