[(2R)-2-azanylpropanoyl] (2S)-2-(3-azanyl-3-oxidanylidene-propyl)-2-thionitroso-icosanoate

Systemtic Name: [(2R)-2-azanylpropanoyl] (2S)-2-(3-azanyl-3-oxidanylidene-propyl)-2-thionitroso-icosanoate Openeye Name: [(2R)-2-aminopropanoyl] (2S)-2-(3-amino-3-oxo-propyl)-2-thionitroso-icosanoate CAS Name: (2S)-2-(3-amino-3-oxopropyl)-2-thionitrosoeicosanoic acid [(2R)-2-amino-1-oxopropyl] ester IUPAC Name: [(2R)-2-aminopropanoyl] (2S)-2-(3-amino-3-oxopropyl)-2-thionitrosoicosanoate Traditional Name: (2S)-2-(3-amino-3-keto-propyl)-2-thionitroso-arachidic acid [(2R)-2-aminopropanoyl] ester Formula: C26H49N3O4S MolecularWeight: 499.74996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)OC(=O)C(C)N)N=S

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[C@](CCC(=O)N)(C(=O)OC(=O)[C@@H](C)N)N=S

InChI

InChI=1S/C26H49N3O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(29-34,21-19-23(28)30)25(32)33-24(31)22(2)27/h22H,3-21,27H2,1-2H3,(H2,28,30)/t22-,26+/m1/s1