(2S)-2-azanyl-5-[[azanyl-[(3-tert-butyl-4-methoxy-phenyl)sulfonylamino]methylidene]amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[azanyl-[(3-tert-butyl-4-methoxy-phenyl)sulfonylamino]methylidene]amino]pentanoic acid Openeye Name: (2S)-2-amino-5-[[amino-[(3-tert-butyl-4-methoxy-phenyl)sulfonylamino]methylene]amino]pentanoic acid CAS Name: (2S)-2-amino-5-[[amino-[(3-tert-butyl-4-methoxyphenyl)sulfonylamino]methylidene]amino]pentanoic acid IUPAC Name: (2S)-2-amino-5-[[amino-[(3-tert-butyl-4-methoxyphenyl)sulfonylamino]methylidene]amino]pentanoic acid Traditional Name: (2S)-2-amino-5-[[amino-[(3-tert-butyl-4-methoxy-phenyl)sulfonylamino]methylene]amino]valeric acid Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)NC(=NCCCC(C(=O)O)N)N)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N)N)OC

InChI

InChI=1S/C17H28N4O5S/c1-17(2,3)12-10-11(7-8-14(12)26-4)27(24,25)21-16(19)20-9-5-6-13(18)15(22)23/h7-8,10,13H,5-6,9,18H2,1-4H3,(H,22,23)(H3,19,20,21)/t13-/m0/s1