2,5-bis(azanyl)-2-[2,6-bis(azanyl)hexanoyl]-3-[2-[bis(azanyl)methylideneamino]ethyl]-4-oxidanylidene-heptanedioic acid

Systemtic Name: 2,5-bis(azanyl)-2-[2,6-bis(azanyl)hexanoyl]-3-[2-[bis(azanyl)methylideneamino]ethyl]-4-oxidanylidene-heptanedioic acid Openeye Name: 2,5-diamino-2-(2,6-diaminohexanoyl)-3-(2-guanidinoethyl)-4-oxo-heptanedioic acid CAS Name: 2,5-diamino-3-[2-(diaminomethylideneamino)ethyl]-2-(2,6-diamino-1-oxohexyl)-4-oxoheptanedioic acid IUPAC Name: 2,5-diamino-2-(2,6-diaminohexanoyl)-3-[2-(diaminomethylideneamino)ethyl]-4-oxoheptanedioic acid Traditional Name: 2,5-diamino-2-(2,6-diaminohexanoyl)-3-(2-guanidinoethyl)-4-keto-pimelic acid Formula: C16H31N7O6 MolecularWeight: 417.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)C(C(CCN=C(N)N)C(=O)C(CC(=O)O)N)(C(=O)O)N)N

Isomeric SMILES

C(CCN)CC(C(=O)C(C(CCN=C(N)N)C(=O)C(CC(=O)O)N)(C(=O)O)N)N

InChI

InChI=1S/C16H31N7O6/c17-5-2-1-3-9(18)13(27)16(22,14(28)29)8(4-6-23-15(20)21)12(26)10(19)7-11(24)25/h8-10H,1-7,17-19,22H2,(H,24,25)(H,28,29)(H4,20,21,23)