2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]ethanoic acid; ethanoic acid

Systemtic Name: 2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]ethanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetic acid CAS Name: acetic acid; 2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]acetic acid IUPAC Name: acetic acid; 2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetic acid Traditional Name: acetic acid; 2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetic acid Formula: C16H28N6O6 MolecularWeight: 400.43012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)NCC(=O)O)N

Isomeric SMILES

CC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)N

InChI

InChI=1S/C14H24N6O4.C2H4O2/c15-4-2-1-3-11(14(24)18-7-12(21)22)20-13(23)10(16)5-9-6-17-8-19-9;1-2(3)4/h6,8,10-11H,1-5,7,15-16H2,(H,17,19)(H,18,24)(H,20,23)(H,21,22);1H3,(H,3,4)/t10-,11-;/m0./s1