5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoic acid; 2-(3-azanyl-3-oxidanylidene-propyl)-2-thionitroso-icosanoic acid

Systemtic Name: 5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoic acid; 2-(3-azanyl-3-oxidanylidene-propyl)-2-thionitroso-icosanoic acid Openeye Name: 5-amino-2-(2-aminopropanoylamino)-5-oxo-pentanoic acid; 2-(3-amino-3-oxo-propyl)-2-thionitroso-icosanoic acid CAS Name: 5-amino-2-[(2-amino-1-oxopropyl)amino]-5-oxopentanoic acid; 2-(3-amino-3-oxopropyl)-2-thionitrosoeicosanoic acid IUPAC Name: 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoic acid; 2-(3-amino-3-oxopropyl)-2-thionitrosoicosanoic acid Traditional Name: 2-(alanylamino)-5-amino-5-keto-valeric acid; 2-(3-amino-3-keto-propyl)-2-thionitroso-arachidic acid Formula: C31H59N5O7S MolecularWeight: 645.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N=S.CC(C(=O)NC(CCC(=O)N)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N=S.CC(C(=O)NC(CCC(=O)N)C(=O)O)N

InChI

InChI=1S/C23H44N2O3S.C8H15N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(25-29,22(27)28)20-18-21(24)26;1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h2-20H2,1H3,(H2,24,26)(H,27,28);4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)