[(2-azanyl-3-sulfanyl-propyl)amino] 2-[(8Z)-9-methyl-3-oxidanyl-11-oxidanylidene-1-oxacycloundec-8-en-2-yl]-2-(propylamino)ethanoate

Systemtic Name: [(2-azanyl-3-sulfanyl-propyl)amino] 2-[(8Z)-9-methyl-3-oxidanyl-11-oxidanylidene-1-oxacycloundec-8-en-2-yl]-2-(propylamino)ethanoate Openeye Name: [(2-amino-3-sulfanyl-propyl)amino] 2-[(8Z)-3-hydroxy-9-methyl-11-oxo-1-oxacycloundec-8-en-2-yl]-2-(propylamino)acetate CAS Name: 2-[(8Z)-3-hydroxy-9-methyl-11-oxo-1-oxacycloundec-8-en-2-yl]-2-(propylamino)acetic acid [(2-amino-3-mercaptopropyl)amino] ester IUPAC Name: [(2-amino-3-sulfanylpropyl)amino] 2-[(8Z)-3-hydroxy-9-methyl-11-oxo-1-oxacycloundec-8-en-2-yl]-2-(propylamino)acetate Traditional Name: 2-[(8Z)-3-hydroxy-11-keto-9-methyl-1-oxacycloundec-8-en-2-yl]-2-(propylamino)acetic acid [(2-amino-3-mercapto-propyl)amino] ester Formula: C19H35N3O5S MolecularWeight: 417.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C1C(CCCCC=C(CC(=O)O1)C)O)C(=O)ONCC(CS)N

Isomeric SMILES

CCCNC(C1C(CCCC/C=C(\CC(=O)O1)/C)O)C(=O)ONCC(CS)N

InChI

InChI=1S/C19H35N3O5S/c1-3-9-21-17(19(25)27-22-11-14(20)12-28)18-15(23)8-6-4-5-7-13(2)10-16(24)26-18/h7,14-15,17-18,21-23,28H,3-6,8-12,20H2,1-2H3/b13-7-