2-azanyl-3-[4-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-methyl-pentanoyl)-3-pyrrolidin-2-ylcarbonyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-methyl-pentanoyl)-3-pyrrolidin-2-ylcarbonyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-methyl-pentanoyl)-3-(pyrrolidine-2-carbonyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-3-methyl-1-oxopentyl)-3-[oxo(2-pyrrolidinyl)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(2-amino-3-methylbutanoyl)-2-(2-amino-3-methylpentanoyl)-3-(pyrrolidine-2-carbonyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-methyl-pentanoyl)-3-prolyl-phenyl]propionic acid Formula: C25H38N4O5 MolecularWeight: 474.59302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1=C(C=CC(=C1C(=O)C2CCCN2)C(=O)C(C(C)C)N)CC(C(=O)O)N)N

Isomeric SMILES

CCC(C)C(C(=O)C1=C(C=CC(=C1C(=O)C2CCCN2)C(=O)C(C(C)C)N)CC(C(=O)O)N)N

InChI

InChI=1S/C25H38N4O5/c1-5-13(4)21(28)24(32)18-14(11-16(26)25(33)34)8-9-15(22(30)20(27)12(2)3)19(18)23(31)17-7-6-10-29-17/h8-9,12-13,16-17,20-21,29H,5-7,10-11,26-28H2,1-4H3,(H,33,34)