6-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C21H34N4O4/c1-14(2)12-16(23)19(26)25-18(13-15-8-4-3-5-9-15)20(27)24-17(21(28)29)10-6-7-11-22/h3-5,8-9,14,16-18H,6-7,10-13,22-23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)