2-(octadecylamino)propanoyl 5-azanyl-5-oxidanylidene-2-thionitroso-pentanoate hydrochloride

Systemtic Name: 2-(octadecylamino)propanoyl 5-azanyl-5-oxidanylidene-2-thionitroso-pentanoate hydrochloride Openeye Name: 2-(octadecylamino)propanoyl 5-amino-5-oxo-2-thionitroso-pentanoate hydrochloride CAS Name: 5-amino-5-oxo-2-thionitrosopentanoic acid [2-(octadecylamino)-1-oxopropyl] ester hydrochloride IUPAC Name: 2-(octadecylamino)propanoyl 5-amino-5-oxo-2-thionitrosopentanoate hydrochloride Traditional Name: 5-amino-5-keto-2-thionitroso-valeric acid 2-(stearylamino)propanoyl ester hydrochloride Formula: C26H50ClN3O4S MolecularWeight: 536.2109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(C)C(=O)OC(=O)C(CCC(=O)N)N=S.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(C)C(=O)OC(=O)C(CCC(=O)N)N=S.Cl

InChI

InChI=1S/C26H49N3O4S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-22(2)25(31)33-26(32)23(29-34)19-20-24(27)30;/h22-23,28H,3-21H2,1-2H3,(H2,27,30);1H