2-[[(2-azanyl-3-sulfanyl-propyl)amino]-[(E)-5-pentoxypent-4-enoyl]amino]-3-methyl-4-oxidanyl-butanoic acid

Systemtic Name: 2-[[(2-azanyl-3-sulfanyl-propyl)amino]-[(E)-5-pentoxypent-4-enoyl]amino]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 2-[[(2-amino-3-sulfanyl-propyl)amino]-[(E)-5-pentoxypent-4-enoyl]amino]-4-hydroxy-3-methyl-butanoic acid CAS Name: 2-[[(2-amino-3-mercaptopropyl)amino]-[(E)-1-oxo-5-pentoxypent-4-enyl]amino]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 2-[[(2-amino-3-sulfanylpropyl)amino]-[(E)-5-pentoxypent-4-enoyl]amino]-4-hydroxy-3-methylbutanoic acid Traditional Name: 2-[[(2-amino-3-mercapto-propyl)amino]-[(E)-5-amoxypent-4-enoyl]amino]-4-hydroxy-3-methyl-butyric acid Formula: C18H35N3O5S MolecularWeight: 405.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC=CCCC(=O)N(C(C(C)CO)C(=O)O)NCC(CS)N

Isomeric SMILES

CCCCCO/C=C/CCC(=O)N(C(C(C)CO)C(=O)O)NCC(CS)N

InChI

InChI=1S/C18H35N3O5S/c1-3-4-6-9-26-10-7-5-8-16(23)21(20-11-15(19)13-27)17(18(24)25)14(2)12-22/h7,10,14-15,17,20,22,27H,3-6,8-9,11-13,19H2,1-2H3,(H,24,25)/b10-7+