(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide Openeye Name: (2S)-2-amino-5-guanidino-N-[(1-tridecanoyl-2-piperidyl)methyl]pentanamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-[[1-(1-oxotridecyl)-2-piperidinyl]methyl]pentanamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide Traditional Name: (2S)-2-amino-5-guanidino-N-[(1-tridecanoyl-2-piperidyl)methyl]valeramide Formula: C25H50N6O2 MolecularWeight: 466.7035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C25H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(32)31-19-13-12-15-21(31)20-30-24(33)22(26)16-14-18-29-25(27)28/h21-22H,2-20,26H2,1H3,(H,30,33)(H4,27,28,29)/t21?,22-/m0/s1