2-[(11R)-11-[3-[bis(azanyl)methylideneamino]propyl]-14-methyl-4,7,10,13,16-pentakis(oxidanylidene)-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]ethanoic acid

Systemtic Name: 2-[(11R)-11-[3-[bis(azanyl)methylideneamino]propyl]-14-methyl-4,7,10,13,16-pentakis(oxidanylidene)-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]ethanoic acid Openeye Name: 2-[(11R)-11-(3-guanidinopropyl)-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid CAS Name: 2-[(11R)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-trien-5-yl]acetic acid IUPAC Name: 2-[(11R)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid Traditional Name: 2-[(11R)-11-(3-guanidinopropyl)-4,7,10,13,16-pentaketo-14-methyl-3,6,9,12,15-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-trien-5-yl]acetic acid Formula: C23H32N8O7 MolecularWeight: 532.54958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC2=CC=CC(=C2)C(=O)N1)CC(=O)O)CCCN=C(N)N

Isomeric SMILES

CC1C(=O)N[C@@H](C(=O)NCC(=O)NC(C(=O)NCC2=CC=CC(=C2)C(=O)N1)CC(=O)O)CCCN=C(N)N

InChI

InChI=1S/C23H32N8O7/c1-12-19(35)31-15(6-3-7-26-23(24)25)21(37)28-11-17(32)30-16(9-18(33)34)22(38)27-10-13-4-2-5-14(8-13)20(36)29-12/h2,4-5,8,12,15-16H,3,6-7,9-11H2,1H3,(H,27,38)(H,28,37)(H,29,36)(H,30,32)(H,31,35)(H,33,34)(H4,24,25,26)/t12?,15-,16?/m1/s1