(2S)-2-azanyl-3-(1H-imidazol-5-yl)-N,N-bis(1-oxidanyl-3-oxidanylidene-octadecan-2-yl)propanamide hydrochloride

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)-N,N-bis(1-oxidanyl-3-oxidanylidene-octadecan-2-yl)propanamide hydrochloride Openeye Name: (2S)-2-amino-N,N-bis[1-(hydroxymethyl)-2-oxo-heptadecyl]-3-(1H-imidazol-5-yl)propanamide hydrochloride CAS Name: (2S)-2-amino-N,N-bis(1-hydroxy-3-oxooctadecan-2-yl)-3-(1H-imidazol-5-yl)propanamide hydrochloride IUPAC Name: (2S)-2-amino-N,N-bis(1-hydroxy-3-oxooctadecan-2-yl)-3-(1H-imidazol-5-yl)propanamide hydrochloride Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)-N,N-bis(2-keto-1-methylol-heptadecyl)propionamide hydrochloride Formula: C42H79ClN4O5 MolecularWeight: 755.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CO)N(C(CO)C(=O)CCCCCCCCCCCCCCC)C(=O)C(CC1=CN=CN1)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CO)N(C(CO)C(=O)CCCCCCCCCCCCCCC)C(=O)[C@H](CC1=CN=CN1)N.Cl

InChI

InChI=1S/C42H78N4O5.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(49)38(33-47)46(42(51)37(43)31-36-32-44-35-45-36)39(34-48)41(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h32,35,37-39,47-48H,3-31,33-34,43H2,1-2H3,(H,44,45);1H/t37-,38?,39?;/m0./s1