4-[[6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-chloranyl-benzoic acid

Systemtic Name: 4-[[6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-chloranyl-benzoic acid Openeye Name: 4-[[6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-2-chloro-benzoic acid CAS Name: 4-[[6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-2-chlorobenzoic acid IUPAC Name: 4-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-chlorobenzoic acid Traditional Name: 4-[[6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-2-chloro-benzoic acid Formula: C18H26ClN3O5 MolecularWeight: 399.86914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)O)Cl

InChI

InChI=1S/C18H26ClN3O5/c1-18(2,3)27-17(26)22-14(6-4-5-9-20)15(23)21-11-7-8-12(16(24)25)13(19)10-11/h7-8,10,14H,4-6,9,20H2,1-3H3,(H,21,23)(H,22,26)(H,24,25)