6-azanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hexanoic acid; 1,3-bis(chloranyl)propan-2-one

Systemtic Name: 6-azanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hexanoic acid; 1,3-bis(chloranyl)propan-2-one Openeye Name: 6-amino-2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid; 1,3-dichloropropan-2-one CAS Name: 6-amino-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid; 1,3-dichloro-2-propanone IUPAC Name: 6-amino-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hexanoic acid; 1,3-dichloropropan-2-one Traditional Name: 6-amino-2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid; 1,3-dichloroacetone Formula: C23H35Cl2N3O6 MolecularWeight: 520.4465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O.C(C(=O)CCl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O.C(C(=O)CCl)Cl

InChI

InChI=1S/C20H31N3O5.C3H4Cl2O/c1-20(2,3)28-19(27)23-16(13-14-9-5-4-6-10-14)17(24)22-15(18(25)26)11-7-8-12-21;4-1-3(6)2-5/h4-6,9-10,15-16H,7-8,11-13,21H2,1-3H3,(H,22,24)(H,23,27)(H,25,26);1-2H2