2-azanyl-3-[3-(2-azanyl-3-methyl-butanoyl)-5-(2-azanyl-4-methyl-pentanoyl)-4-(2-azanyl-3-phenyl-propanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-3-methyl-butanoyl)-5-(2-azanyl-4-methyl-pentanoyl)-4-(2-azanyl-3-phenyl-propanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-3-methyl-butanoyl)-5-(2-amino-4-methyl-pentanoyl)-4-(2-amino-3-phenyl-propanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-3-methyl-1-oxobutyl)-5-(2-amino-4-methyl-1-oxopentyl)-4-(2-amino-1-oxo-3-phenylpropyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-3-methylbutanoyl)-5-(2-amino-4-methylpentanoyl)-4-(2-amino-3-phenylpropanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2-amino-3-methyl-butanoyl)-5-(2-amino-4-methyl-pentanoyl)-4-phenylalanyl-phenyl]propionic acid Formula: C29H40N4O5 MolecularWeight: 524.6517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=CC(=CC(=C1C(=O)C(CC2=CC=CC=C2)N)C(=O)C(C(C)C)N)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C1=CC(=CC(=C1C(=O)C(CC2=CC=CC=C2)N)C(=O)C(C(C)C)N)CC(C(=O)O)N)N

InChI

InChI=1S/C29H40N4O5/c1-15(2)10-21(30)26(34)19-11-18(14-23(32)29(37)38)12-20(27(35)25(33)16(3)4)24(19)28(36)22(31)13-17-8-6-5-7-9-17/h5-9,11-12,15-16,21-23,25H,10,13-14,30-33H2,1-4H3,(H,37,38)