2-azanyl-1-[3-(2-azanylpropanoyl)-7,8,23,24-tetrahydroporphyrin-2-yl]propan-1-one

Systemtic Name: 2-azanyl-1-[3-(2-azanylpropanoyl)-7,8,23,24-tetrahydroporphyrin-2-yl]propan-1-one Openeye Name: 2-amino-1-[3-(2-aminopropanoyl)-7,8,23,24-tetrahydroporphyrin-2-yl]propan-1-one CAS Name: 2-amino-1-[3-(2-amino-1-oxopropyl)-7,8,23,24-tetrahydroporphyrin-2-yl]-1-propanone IUPAC Name: 2-amino-1-[3-(2-aminopropanoyl)-7,8,23,24-tetrahydroporphyrin-2-yl]propan-1-one Traditional Name: 1-(3-alanyl-7,8,23,24-tetrahydroporphin-2-yl)-2-amino-propan-1-one Formula: C26H26N6O2 MolecularWeight: 454.52364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C2=NC1=CC3=NC(=CC4=CC=C(N4)C=C5C=CC(=C2)N5)CC3)C(=O)C(C)N)N

Isomeric SMILES

CC(C(=O)C1=C(C2=NC1=CC3=NC(=CC4=CC=C(N4)C=C5C=CC(=C2)N5)CC3)C(=O)C(C)N)N

InChI

InChI=1S/C26H26N6O2/c1-13(27)25(33)23-21-11-19-7-5-17(30-19)9-15-3-4-16(29-15)10-18-6-8-20(31-18)12-22(32-21)24(23)26(34)14(2)28/h3-5,7,9-14,29-30H,6,8,27-28H2,1-2H3