(2S)-2-(4-acetamidobutanoylamino)-5-[bis(azanyl)methylideneamino]-N-phenethyl-pentanamide

Systemtic Name: (2S)-2-(4-acetamidobutanoylamino)-5-[bis(azanyl)methylideneamino]-N-phenethyl-pentanamide Openeye Name: (2S)-2-(4-acetamidobutanoylamino)-5-guanidino-N-phenethyl-pentanamide CAS Name: (2S)-2-[(4-acetamido-1-oxobutyl)amino]-5-(diaminomethylideneamino)-N-phenethylpentanamide IUPAC Name: (2S)-2-(4-acetamidobutanoylamino)-5-(diaminomethylideneamino)-N-phenethylpentanamide Traditional Name: (2S)-2-(4-acetamidobutanoylamino)-5-guanidino-N-phenethyl-valeramide Formula: C20H32N6O3 MolecularWeight: 404.50648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=O)NC(CCCN=C(N)N)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C20H32N6O3/c1-15(27)23-12-6-10-18(28)26-17(9-5-13-25-20(21)22)19(29)24-14-11-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-14H2,1H3,(H,23,27)(H,24,29)(H,26,28)(H4,21,22,25)/t17-/m0/s1