5-[bis(azanyl)methylideneamino]-2-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanoylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanoylamino]pentanoic acid Openeye Name: 5-guanidino-2-[[2-(tetralin-1-ylamino)acetyl]amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]pentanoic acid Traditional Name: 5-guanidino-2-[[2-(tetralin-1-ylamino)acetyl]amino]valeric acid Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NCC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NCC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H27N5O3/c19-18(20)21-10-4-9-15(17(25)26)23-16(24)11-22-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14-15,22H,3-4,6,8-11H2,(H,23,24)(H,25,26)(H4,19,20,21)