2-[3-[(3R,6E,8E,10E,16S,19S)-15,15-bis(oxidanyl)-2,5,14,18-tetrakis(oxidanylidene)-3-phenethyl-1,4,13,17-tetrazabicyclo[17.3.0]docosa-6,8,10,12-tetraen-16-yl]propyl]guanidine

Systemtic Name: 2-[3-[(3R,6E,8E,10E,16S,19S)-15,15-bis(oxidanyl)-2,5,14,18-tetrakis(oxidanylidene)-3-phenethyl-1,4,13,17-tetrazabicyclo[17.3.0]docosa-6,8,10,12-tetraen-16-yl]propyl]guanidine Openeye Name: 2-[3-[(3R,6E,8E,10E,16S,19S)-15,15-dihydroxy-2,5,14,18-tetraoxo-3-phenethyl-1,4,13,17-tetrazabicyclo[17.3.0]docosa-6,8,10,12-tetraen-16-yl]propyl]guanidine CAS Name: 2-[3-[(3R,6E,8E,10E,16S,19S)-15,15-dihydroxy-2,5,14,18-tetraoxo-3-phenethyl-1,4,13,17-tetrazabicyclo[17.3.0]docosa-6,8,10,12-tetraen-16-yl]propyl]guanidine IUPAC Name: 2-[3-[(3R,6E,8E,10E,16S,19S)-15,15-dihydroxy-2,5,14,18-tetraoxo-3-phenethyl-1,4,13,17-tetrazabicyclo[17.3.0]docosa-6,8,10,12-tetraen-16-yl]propyl]guanidine Traditional Name: 2-[3-[(3R,6E,8E,10E,16S,19S)-15,15-dihydroxy-2,5,14,18-tetraketo-3-phenethyl-1,4,13,17-tetrazabicyclo[17.3.0]docosa-6,8,10,12-tetraen-16-yl]propyl]guanidine Formula: C30H39N7O6 MolecularWeight: 593.67396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC(C(C(=O)N=CC=CC=CC=CC(=O)NC(C(=O)N2C1)CCC3=CC=CC=C3)(O)O)CCCN=C(N)N

Isomeric SMILES

C1C[C@H]2C(=O)N[C@H](C(C(=O)N=C/C=C/C=C/C=C/C(=O)N[C@@H](C(=O)N2C1)CCC3=CC=CC=C3)(O)O)CCCN=C(N)N

InChI

InChI=1S/C30H39N7O6/c31-29(32)34-19-9-14-24-30(42,43)28(41)33-18-8-3-1-2-7-15-25(38)35-22(17-16-21-11-5-4-6-12-21)27(40)37-20-10-13-23(37)26(39)36-24/h1-8,11-12,15,18,22-24,42-43H,9-10,13-14,16-17,19-20H2,(H,35,38)(H,36,39)(H4,31,32,34)/b2-1+,8-3+,15-7+,33-18?/t22-,23+,24+/m1/s1