(2S)-2-azanyl-6-[3,4-bis[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]pyrrol-1-yl]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[3,4-bis[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]pyrrol-1-yl]hexanoic acid Openeye Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-oxo-butyl]pyrrol-1-yl]hexanoic acid CAS Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-oxobutyl]-1-pyrrolyl]hexanoic acid IUPAC Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-oxobutyl]pyrrol-1-yl]hexanoic acid Traditional Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-keto-butyl]pyrrol-1-yl]hexanoic acid Formula: C18H30N4O6 MolecularWeight: 398.454

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CN1CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCC(C(=O)O)N

Isomeric SMILES

C1=C(C(=CN1CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H30N4O6/c19-13(16(23)24)3-1-2-8-22-9-11(4-6-14(20)17(25)26)12(10-22)5-7-15(21)18(27)28/h9-10,13-15H,1-8,19-21H2,(H,23,24)(H,25,26)(H,27,28)/t13-,14-,15-/m0/s1