[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H37N3O4/c1-18(2)29(16-19-6-4-3-5-7-19)23(30)17-33-24(31)8-9-27-25(32)28-26-13-20-10-21(14-26)12-22(11-20)15-26/h3-7,18,20-22H,8-17H2,1-2H3,(H2,27,28,32)