4-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanoic acid

Systemtic Name: 4-[[(2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanoic acid Openeye Name: 4-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]butanoic acid CAS Name: 4-[[(2S)-2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]butanoic acid IUPAC Name: 4-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid Traditional Name: 4-[[(2S)-2-benzamido-5-guanidino-pentanoyl]amino]butyric acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c18-17(19)21-11-4-8-13(16(26)20-10-5-9-14(23)24)22-15(25)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,20,26)(H,22,25)(H,23,24)(H4,18,19,21)/t13-/m0/s1