2-azanyl-3-[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-5-guanidino-pentanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-5-guanidino-pentanoyl)indol-3-yl]propionic acid Formula: C17H24N6O3 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C(=O)C(CCCN=C(N)N)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C(=O)C(CCCN=C(N)N)N)CC(C(=O)O)N

InChI

InChI=1S/C17H24N6O3/c18-12(5-3-7-22-17(20)21)15(24)23-9-10(8-13(19)16(25)26)11-4-1-2-6-14(11)23/h1-2,4,6,9,12-13H,3,5,7-8,18-19H2,(H,25,26)(H4,20,21,22)