6-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[4-amino-2-[(2-amino-3-phenyl-propanoyl)amino]-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[4-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[4-amino-2-[(2-amino-3-phenylpropanoyl)amino]-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[4-amino-4-keto-2-(phenylalanylamino)butanoyl]amino]hexanoic acid Formula: C19H29N5O5 MolecularWeight: 407.46406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O5/c20-9-5-4-8-14(19(28)29)23-18(27)15(11-16(22)25)24-17(26)13(21)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,27)(H,24,26)(H,28,29)