[4-[(9S,15E,17R)-9-(2-azanyl-2-oxidanylidene-ethyl)-13-(naphthalen-1-ylmethyl)-7,10,19-tris(oxidanylidene)-8,11,20-triazaspiro[5.14]icos-15-en-17-yl]phenyl]methylphosphonic acid

Systemtic Name: [4-[(9S,15E,17R)-9-(2-azanyl-2-oxidanylidene-ethyl)-13-(naphthalen-1-ylmethyl)-7,10,19-tris(oxidanylidene)-8,11,20-triazaspiro[5.14]icos-15-en-17-yl]phenyl]methylphosphonic acid Openeye Name: [4-[(9S,15E,17R)-9-(2-amino-2-oxo-ethyl)-13-(1-naphthylmethyl)-7,10,19-trioxo-8,11,20-triazaspiro[5.14]icos-15-en-17-yl]phenyl]methylphosphonic acid CAS Name: [4-[(9S,15E,17R)-9-(2-amino-2-oxoethyl)-13-(1-naphthalenylmethyl)-7,10,19-trioxo-8,11,20-triazaspiro[5.14]eicos-15-en-17-yl]phenyl]methylphosphonic acid IUPAC Name: [4-[(9S,15E,17R)-9-(2-amino-2-oxoethyl)-13-(naphthalen-1-ylmethyl)-7,10,19-trioxo-8,11,20-triazaspiro[5.14]icos-15-en-17-yl]phenyl]methylphosphonic acid Traditional Name: [4-[(9S,15E,17R)-9-(2-amino-2-keto-ethyl)-7,10,19-triketo-13-(1-naphthylmethyl)-8,11,20-triazaspiro[5.14]eicos-15-en-17-yl]benzyl]phosphonic acid Formula: C37H45N4O7P MolecularWeight: 688.749561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=O)NC(C(=O)NCC(CC=CC(CC(=O)N2)C3=CC=C(C=C3)CP(=O)(O)O)CC4=CC=CC5=CC=CC=C54)CC(=O)N

Isomeric SMILES

C1CCC2(CC1)C(=O)N[C@H](C(=O)NCC(C/C=C/[C@@H](CC(=O)N2)C3=CC=C(C=C3)CP(=O)(O)O)CC4=CC=CC5=CC=CC=C54)CC(=O)N

InChI

InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26?,29-,32-/m0/s1