2-azanylethanoyl 3-[2-azanyl-4-[6-[bis(azanyl)methylideneamino]hexanoyl]pyridin-3-yl]propanoate

Systemtic Name: 2-azanylethanoyl 3-[2-azanyl-4-[6-[bis(azanyl)methylideneamino]hexanoyl]pyridin-3-yl]propanoate Openeye Name: (2-aminoacetyl) 3-[2-amino-4-(6-guanidinohexanoyl)-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-[6-(diaminomethylideneamino)-1-oxohexyl]-3-pyridinyl]propanoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[2-amino-4-[6-(diaminomethylideneamino)hexanoyl]pyridin-3-yl]propanoate Traditional Name: 3-[2-amino-4-(6-guanidinohexanoyl)-3-pyridyl]propionic acid glycyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=C1C(=O)CCCCCN=C(N)N)CCC(=O)OC(=O)CN)N

Isomeric SMILES

C1=CN=C(C(=C1C(=O)CCCCCN=C(N)N)CCC(=O)OC(=O)CN)N

InChI

InChI=1S/C17H26N6O4/c18-10-15(26)27-14(25)6-5-12-11(7-9-22-16(12)19)13(24)4-2-1-3-8-23-17(20)21/h7,9H,1-6,8,10,18H2,(H2,19,22)(H4,20,21,23)