(2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]-N-phenyl-pentanamide

Systemtic Name: (2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]-N-phenyl-pentanamide Openeye Name: (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-guanidino-N-phenyl-pentanamide CAS Name: (2S)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-N-phenylpentanamide IUPAC Name: (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-(diaminomethylideneamino)-N-phenylpentanamide Traditional Name: (2S)-2-[[2-(glycylamino)acetyl]amino]-5-guanidino-N-phenyl-valeramide Formula: C16H25N7O3 MolecularWeight: 363.4148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CN

InChI

InChI=1S/C16H25N7O3/c17-9-13(24)21-10-14(25)23-12(7-4-8-20-16(18)19)15(26)22-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,17H2,(H,21,24)(H,22,26)(H,23,25)(H4,18,19,20)/t12-/m0/s1